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

Systemtic Name: ethyl (1S)-5-(3-bromophenyl)sulfonyl-3-oxidanylidene-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate Openeye Name: ethyl (1S)-5-(3-bromophenyl)sulfonyl-3-oxo-2-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexanecarboxylate CAS Name: (1S)-5-(3-bromophenyl)sulfonyl-3-oxo-2-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S)-5-(3-bromophenyl)sulfonyl-3-oxo-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate Traditional Name: (1S)-5-(3-bromophenyl)sulfonyl-3-keto-2-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C26H31BrN2O5S MolecularWeight: 563.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CC(=O)C1CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)[C@H]1CC(CC(=O)C1CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H31BrN2O5S/c1-2-34-26(31)24-16-22(35(32,33)21-5-3-4-19(27)15-21)17-25(30)23(24)14-18-8-12-29(13-9-18)20-6-10-28-11-7-20/h3-7,10-11,15,18,22-24H,2,8-9,12-14,16-17H2,1H3/t22?,23?,24-/m0/s1