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887587-83-9 | 1-Pyrrolidinecarboxylicacid, 3-[[3-(aminocarbonyl)phenyl]sulfonyl]-, 1,1-dimethylethyl ester
CAS No: 887587-83-9 Catalog No: AG004BWK MDL No:
Product Description
Catalog Number:
AG004BWK
Chemical Name:
1-Pyrrolidinecarboxylicacid, 3-[[3-(aminocarbonyl)phenyl]sulfonyl]-, 1,1-dimethylethyl ester
CAS Number:
887587-83-9
Molecular Formula:
C16H22N2O5S
Molecular Weight:
354.4213
IUPAC Name:
tert-butyl 3-(3-carbamoylphenyl)sulfonylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C16H22N2O5S/c1-16(2,3)23-15(20)18-8-7-13(10-18)24(21,22)12-6-4-5-11(9-12)14(17)19/h4-6,9,13H,7-8,10H2,1-3H3,(H2,17,19)
InChI Key:
FHNZVXCONNVBGK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)S(=O)(=O)c1cccc(c1)C(=O)N)OC(C)(C)C
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.125g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.421g/mol
Monoisotopic Mass:
354.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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