ethyl 4-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-tosylnipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-3-28-20(25)22-13-11-21(12-14-22)19(24)17-5-4-10-23(15-17)29(26,27)18-8-6-16(2)7-9-18/h6-9,17H,3-5,10-15H2,1-2H3/t17-/m0/s1