methyl 1-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-(m-tolylmethylsulfonyl)piperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(3-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-methylbenzyl)sulfonylisonipecotoyl]isonipecotic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5S/c1-16-4-3-5-17(14-16)15-29(26,27)23-12-8-18(9-13-23)20(24)22-10-6-19(7-11-22)21(25)28-2/h3-5,14,18-19H,6-13,15H2,1-2H3