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

Systemtic Name: (2-methoxyphenyl) (1S)-5-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate Openeye Name: (2-methoxyphenyl) (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 (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) (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 (2-methoxyphenyl) ester Formula: C35H35ClN2O6S MolecularWeight: 647.1802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)C2CC(CC(=O)C2CC3CCN(CC3)C4=CC=NC=C4)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl

Isomeric SMILES

COC1=CC=CC=C1OC(=O)[C@H]2CC(CC(=O)C2CC3CCN(CC3)C4=CC=NC=C4)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl

InChI

InChI=1S/C35H35ClN2O6S/c1-43-33-4-2-3-5-34(33)44-35(40)31-21-29(45(41,42)28-9-7-24-19-26(36)8-6-25(24)20-28)22-32(39)30(31)18-23-12-16-38(17-13-23)27-10-14-37-15-11-27/h2-11,14-15,19-20,23,29-31H,12-13,16-18,21-22H2,1H3/t29?,30?,31-/m0/s1