methyl 1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[1-(2,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[1-(2,4-dimethylphenyl)sulfonylisonipecotoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C27H34N2O5S/c1-20-9-10-24(21(2)19-20)35(32,33)29-15-11-22(12-16-29)25(30)28-17-13-27(14-18-28,26(31)34-3)23-7-5-4-6-8-23/h4-10,19,22H,11-18H2,1-3H3