3-methyl-4-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoic acid Traditional Name: 3-methyl-4-[[1-(2-thienylsulfonyl)nipecotoyl]amino]benzoic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N2O5S2/c1-12-10-13(18(22)23)6-7-15(12)19-17(21)14-4-2-8-20(11-14)27(24,25)16-5-3-9-26-16/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,19,21)(H,22,23)