phenyl (1S)-5-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate

Systemtic Name: phenyl (1S)-5-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate Openeye Name: phenyl (1S)-5-[(6-chloro-2-naphthyl)sulfonyl]-3-oxo-2-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexanecarboxylate CAS Name: (1S)-5-[(6-chloro-2-naphthalenyl)sulfonyl]-3-oxo-2-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl (1S)-5-(6-chloronaphthalen-2-yl)sulfonyl-3-oxo-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate Traditional Name: (1S)-5-[(6-chloro-2-naphthyl)sulfonyl]-3-keto-2-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexanecarboxylic acid phenyl ester Formula: C34H33ClN2O5S MolecularWeight: 617.15422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2C(CC(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)OC5=CC=CC=C5)C6=CC=NC=C6

Isomeric SMILES

C1CN(CCC1CC2[C@H](CC(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)OC5=CC=CC=C5)C6=CC=NC=C6

InChI

InChI=1S/C34H33ClN2O5S/c35-26-8-6-25-20-29(9-7-24(25)19-26)43(40,41)30-21-32(34(39)42-28-4-2-1-3-5-28)31(33(38)22-30)18-23-12-16-37(17-13-23)27-10-14-36-15-11-27/h1-11,14-15,19-20,23,30-32H,12-13,16-18,21-22H2/t30?,31?,32-/m0/s1