3-[[4-(azepan-1-ylsulfonyl)thiophen-2-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)thiophen-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)thiophene-2-carbonyl]amino]benzoic acid CAS Name: 3-[[[4-(1-azepanylsulfonyl)-2-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)thiophene-2-carbonyl]amino]benzoic acid Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)thiophene-2-carbonyl]amino]benzoic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H20N2O5S2/c21-17(19-14-7-5-6-13(10-14)18(22)23)16-11-15(12-26-16)27(24,25)20-8-3-1-2-4-9-20/h5-7,10-12H,1-4,8-9H2,(H,19,21)(H,22,23)