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2-(azepan-1-yl)-3-methyl-5-[methyl(phenyl)sulfamoyl]benzoic acid

2-(azepan-1-yl)-3-methyl-5-[methyl(phenyl)sulfamoyl]benzoic acid

Systemtic Name:2-(azepan-1-yl)-3-methyl-5-[methyl(phenyl)sulfamoyl]benzoic acid
Openeye Name:2-(azepan-1-yl)-3-methyl-5-[methyl(phenyl)sulfamoyl]benzoic acid
CAS Name:2-(1-azepanyl)-3-methyl-5-[methyl(phenyl)sulfamoyl]benzoic acid
IUPAC Name:2-(azepan-1-yl)-3-methyl-5-[methyl(phenyl)sulfamoyl]benzoic acid
Traditional Name:2-(azepan-1-yl)-3-methyl-5-[methyl(phenyl)sulfamoyl]benzoic acid
Formula: C21H26N2O4S
MolecularWeight: 402.50714
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)S(=O)(=O)N(C)C2=CC=CC=C2)C(=O)O)N3CCCCCC3


Isomeric SMILES

CC1=C(C(=CC(=C1)S(=O)(=O)N(C)C2=CC=CC=C2)C(=O)O)N3CCCCCC3


InChI

InChI=1S/C21H26N2O4S/c1-16-14-18(28(26,27)22(2)17-10-6-5-7-11-17)15-19(21(24)25)20(16)23-12-8-3-4-9-13-23/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3,(H,24,25)


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