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

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-4-methoxy-benzoic acid Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-4-methoxy-benzoic acid CAS Name: 3-[[4-(1-azepanylsulfonyl)phenyl]sulfamoyl]-4-methoxybenzoic acid IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-4-methoxybenzoic acid Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-4-methoxy-benzoic acid Formula: C20H24N2O7S2 MolecularWeight: 468.54376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N2O7S2/c1-29-18-11-6-15(20(23)24)14-19(18)30(25,26)21-16-7-9-17(10-8-16)31(27,28)22-12-4-2-3-5-13-22/h6-11,14,21H,2-5,12-13H2,1H3,(H,23,24)