ethyl 4-[(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonylnipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C21H31N3O6S/c1-4-30-21(26)23-12-10-22(11-13-23)20(25)17-6-5-9-24(15-17)31(27,28)18-7-8-19(29-3)16(2)14-18/h7-8,14,17H,4-6,9-13,15H2,1-3H3/t17-/m0/s1