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206256-31-7 | 1H-Indole-2-carboxylic acid, 3-[(2-aminophenyl)sulfonyl]-, ethyl ester
CAS No: 206256-31-7 Catalog No: AG002IDY MDL No:
Product Description
Catalog Number:
AG002IDY
Chemical Name:
1H-Indole-2-carboxylic acid, 3-[(2-aminophenyl)sulfonyl]-, ethyl ester
CAS Number:
206256-31-7
Molecular Formula:
C17H16N2O4S
Molecular Weight:
344.3849
IUPAC Name:
ethyl 3-(2-aminophenyl)sulfonyl-1H-indole-2-carboxylate
InChI:
InChI=1S/C17H16N2O4S/c1-2-23-17(20)15-16(11-7-3-5-9-13(11)19-15)24(21,22)14-10-6-4-8-12(14)18/h3-10,19H,2,18H2,1H3
InChI Key:
FYWUYCYOZMJWPG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1S(=O)(=O)c1ccccc1N)cccc2
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.083g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.385g/mol
Monoisotopic Mass:
344.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of 5H-indolo [3,2-b][1,5]benzothiazepine derivatives, designed as conformationally constrained analogues of the human immunodeficiency virus type 1 reverse transcriptase inhibitor L-737,126. | Antiviral chemistry & chemotherapy 19980301 |
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