[2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-keto-2-[[2-keto-2-(p-toluidino)ethyl]-methyl-amino]ethyl] ester Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H28N4O6S/c1-17-5-7-19(8-6-17)25-21(28)15-26(2)22(29)16-33-23(30)18-9-12-27(13-10-18)34(31,32)20-4-3-11-24-14-20/h3-8,11,14,18H,9-10,12-13,15-16H2,1-2H3,(H,25,28)