2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]benzoic acid Openeye Name: 2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzoic acid CAS Name: 2-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzoic acid Traditional Name: 2-[(1-mesylisonipecotoyl)amino]benzoic acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H18N2O5S/c1-22(20,21)16-8-6-10(7-9-16)13(17)15-12-5-3-2-4-11(12)14(18)19/h2-5,10H,6-9H2,1H3,(H,15,17)(H,18,19)