1-[5-[(2-methylphenyl)carbamoyl]thiophen-3-yl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[5-[(2-methylphenyl)carbamoyl]thiophen-3-yl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[[5-(o-tolylcarbamoyl)-3-thienyl]sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[[5-[(2-methylanilino)-oxomethyl]-3-thiophenyl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-[(2-methylphenyl)carbamoyl]thiophen-3-yl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[[5-(o-tolylcarbamoyl)-3-thienyl]sulfonyl]isonipecotic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H20N2O5S2/c1-12-4-2-3-5-15(12)19-17(21)16-10-14(11-26-16)27(24,25)20-8-6-13(7-9-20)18(22)23/h2-5,10-11,13H,6-9H2,1H3,(H,19,21)(H,22,23)