methyl 1-[2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[2-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[2-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[2-methyl-5-(4-methylpiperidino)sulfonyl-benzoyl]isonipecotic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H30N2O5S/c1-15-6-12-23(13-7-15)29(26,27)18-5-4-16(2)19(14-18)20(24)22-10-8-17(9-11-22)21(25)28-3/h4-5,14-15,17H,6-13H2,1-3H3