2-[[4-(azepan-1-ylsulfonyl)thiophen-2-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)thiophen-2-yl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)thiophene-2-carbonyl]amino]benzoic acid CAS Name: 2-[[[4-(1-azepanylsulfonyl)-2-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)thiophene-2-carbonyl]amino]benzoic acid Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)thiophene-2-carbonyl]amino]benzoic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H20N2O5S2/c21-17(19-15-8-4-3-7-14(15)18(22)23)16-11-13(12-26-16)27(24,25)20-9-5-1-2-6-10-20/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,19,21)(H,22,23)