(2-benzamido-2-oxidanylidene-ethyl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (2-benzamido-2-keto-ethyl) ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O6S/c1-16-7-9-19(10-8-16)31(28,29)24-13-11-18(12-14-24)22(27)30-15-20(25)23-21(26)17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,23,25,26)