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

Systemtic Name: 3-methyl-4-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]benzoic acid Traditional Name: 3-methyl-4-[[1-(2-thienylsulfonyl)isonipecotoyl]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)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

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