4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]benzoic acid Openeye Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]benzoic acid CAS Name: 4-[[3-(1-azepanylsulfonyl)-4-methylphenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]sulfamoyl]benzoic acid Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]benzoic acid Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S2/c1-15-6-9-17(14-19(15)30(27,28)22-12-4-2-3-5-13-22)21-29(25,26)18-10-7-16(8-11-18)20(23)24/h6-11,14,21H,2-5,12-13H2,1H3,(H,23,24)