4-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]benzoic acid CAS Name: 4-[[oxo-[1-(phenylmethyl)sulfonyl-4-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 4-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]benzoic acid Traditional Name: 4-[(1-benzylsulfonylisonipecotoyl)amino]benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5S/c23-19(21-18-8-6-17(7-9-18)20(24)25)16-10-12-22(13-11-16)28(26,27)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,21,23)(H,24,25)