3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[4-(1-azepanylsulfonyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H26N2O6S2/c1-15-13-17(21(24)25)14-20(16(15)2)30(26,27)22-18-7-9-19(10-8-18)31(28,29)23-11-5-3-4-6-12-23/h7-10,13-14,22H,3-6,11-12H2,1-2H3,(H,24,25)