[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenyl-piperidin-2-yl]methyl 4-cyclohexyl-2-methyl-piperazine-1-carboxylate

Systemtic Name: [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenyl-piperidin-2-yl]methyl 4-cyclohexyl-2-methyl-piperazine-1-carboxylate Openeye Name: [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenyl-2-piperidyl]methyl 4-cyclohexyl-2-methyl-piperazine-1-carboxylate CAS Name: 4-cyclohexyl-2-methyl-1-piperazinecarboxylic acid [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenyl-2-piperidinyl]methyl ester IUPAC Name: [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenylpiperidin-2-yl]methyl 4-cyclohexyl-2-methylpiperazine-1-carboxylate Traditional Name: 4-cyclohexyl-2-methyl-piperazine-1-carboxylic acid [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenyl-2-piperidyl]methyl ester Formula: C30H40ClN3O4S MolecularWeight: 574.1743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OCC2CCCC(N2S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CC1CN(CCN1C(=O)OC[C@H]2CCC[C@H](N2S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C30H40ClN3O4S/c1-23-21-32(26-11-6-3-7-12-26)19-20-33(23)30(35)38-22-27-13-8-14-29(24-9-4-2-5-10-24)34(27)39(36,37)28-17-15-25(31)16-18-28/h2,4-5,9-10,15-18,23,26-27,29H,3,6-8,11-14,19-22H2,1H3/t23?,27-,29+/m1/s1