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

Systemtic Name: methyl (1S)-5-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C29H31ClN2O5S MolecularWeight: 555.08484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CC(=O)C1CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

COC(=O)[C@H]1CC(CC(=O)C1CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C29H31ClN2O5S/c1-37-29(34)27-17-25(38(35,36)24-5-3-20-15-22(30)4-2-21(20)16-24)18-28(33)26(27)14-19-8-12-32(13-9-19)23-6-10-31-11-7-23/h2-7,10-11,15-16,19,25-27H,8-9,12-14,17-18H2,1H3/t25?,26?,27-/m0/s1