1-[2-[[methylsulfonyl-(phenylmethyl)amino]methyl]phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[[methylsulfonyl-(phenylmethyl)amino]methyl]phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[[benzyl(methylsulfonyl)amino]methyl]phenyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[methylsulfonyl-(phenylmethyl)amino]methyl]phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[[benzyl(methylsulfonyl)amino]methyl]phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[benzyl(mesyl)amino]methyl]phenyl]isonipecotic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2N3CCC(CC3)C(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H26N2O4S/c1-28(26,27)23(15-17-7-3-2-4-8-17)16-19-9-5-6-10-20(19)22-13-11-18(12-14-22)21(24)25/h2-10,18H,11-16H2,1H3,(H,24,25)