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71412-03-8 | Benzenesulfonamide,N-(1-amino-9,10-dihydro-2-methoxy-9,10-dioxoanthracenyl)-4-methyl- (9CI)
CAS No: 71412-03-8 Catalog No: AG005IRP MDL No:
Product Description
Catalog Number:
AG005IRP
Chemical Name:
Benzenesulfonamide,N-(1-amino-9,10-dihydro-2-methoxy-9,10-dioxoanthracenyl)-4-methyl- (9CI)
CAS Number:
71412-03-8
Molecular Formula:
C22H18N2O5S
Molecular Weight:
422.4537
IUPAC Name:
N-(4-amino-3-methoxy-9,10-dioxoanthracen-2-yl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C22H18N2O5S/c1-12-7-9-13(10-8-12)30(27,28)24-17-11-16-18(19(23)22(17)29-2)21(26)15-6-4-3-5-14(15)20(16)25/h3-11,24H,23H2,1-2H3
InChI Key:
OUTIRUXPDGYVSL-UHFFFAOYSA-N
SMILES:
COc1c(cc2c(c1N)C(=O)c1c(C2=O)cccc1)NS(=O)(=O)c1ccc(cc1)C
EC Number:
275-411-3
Properties
Complexity:
771
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.094g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
422.455g/mol
Monoisotopic Mass:
422.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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