ethyl (3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-(4-methylpiperidino)sulfonylbenzoyl]nipecotic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

InChI

InChI=1S/C21H30N2O5S/c1-3-28-21(25)18-5-4-12-22(15-18)20(24)17-6-8-19(9-7-17)29(26,27)23-13-10-16(2)11-14-23/h6-9,16,18H,3-5,10-15H2,1-2H3/t18-/m0/s1