ethyl 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylpiperidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

InChI

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