4-[(1-propylsulfonylpiperidin-4-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(1-propylsulfonylpiperidin-4-yl)carbonylamino]benzoic acid Openeye Name: 4-[(1-propylsulfonylpiperidine-4-carbonyl)amino]benzoic acid CAS Name: 4-[[oxo-(1-propylsulfonyl-4-piperidinyl)methyl]amino]benzoic acid IUPAC Name: 4-[(1-propylsulfonylpiperidine-4-carbonyl)amino]benzoic acid Traditional Name: 4-[(1-propylsulfonylisonipecotoyl)amino]benzoic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H22N2O5S/c1-2-11-24(22,23)18-9-7-12(8-10-18)15(19)17-14-5-3-13(4-6-14)16(20)21/h3-6,12H,2,7-11H2,1H3,(H,17,19)(H,20,21)