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

Systemtic Name: 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]-4-methoxy-benzoic acid Openeye Name: 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]-4-methoxy-benzoic acid CAS Name: 3-[[3-(1-azepanylsulfonyl)-4-methylphenyl]sulfamoyl]-4-methoxybenzoic acid IUPAC Name: 3-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]sulfamoyl]-4-methoxybenzoic acid Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]-4-methoxy-benzoic acid Formula: C21H26N2O7S2 MolecularWeight: 482.57034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7S2/c1-15-7-9-17(14-19(15)32(28,29)23-11-5-3-4-6-12-23)22-31(26,27)20-13-16(21(24)25)8-10-18(20)30-2/h7-10,13-14,22H,3-6,11-12H2,1-2H3,(H,24,25)