(3R)-5-(4-bromophenyl)sulfonyl-3-(methoxymethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexan-1-one

Systemtic Name: (3R)-5-(4-bromophenyl)sulfonyl-3-(methoxymethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexan-1-one Openeye Name: (3R)-5-(4-bromophenyl)sulfonyl-3-(methoxymethyl)-2-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexanone CAS Name: (3R)-5-(4-bromophenyl)sulfonyl-3-(methoxymethyl)-2-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-cyclohexanone IUPAC Name: (3R)-5-(4-bromophenyl)sulfonyl-3-(methoxymethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexan-1-one Traditional Name: (3R)-5-brosyl-3-(methoxymethyl)-2-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexanone Formula: C25H31BrN2O4S MolecularWeight: 535.49364

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CC(CC(=O)C1CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H31BrN2O4S/c1-32-17-19-15-23(33(30,31)22-4-2-20(26)3-5-22)16-25(29)24(19)14-18-8-12-28(13-9-18)21-6-10-27-11-7-21/h2-7,10-11,18-19,23-24H,8-9,12-17H2,1H3/t19-,23?,24?/m0/s1