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

Systemtic Name: 3-methyl-4-[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[1-(2-thenoyl)isonipecotoyl]amino]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-12-11-14(19(24)25)4-5-15(12)20-17(22)13-6-8-21(9-7-13)18(23)16-3-2-10-26-16/h2-5,10-11,13H,6-9H2,1H3,(H,20,22)(H,24,25)