5-(4-bromophenyl)sulfonyl-3-oxidanylidene-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 5-(4-bromophenyl)sulfonyl-3-oxidanylidene-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylic acid Openeye Name: 5-(4-bromophenyl)sulfonyl-3-oxo-2-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexanecarboxylic acid CAS Name: 5-(4-bromophenyl)sulfonyl-3-oxo-2-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 5-(4-bromophenyl)sulfonyl-3-oxo-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylic acid Traditional Name: 5-brosyl-3-keto-2-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexanecarboxylic acid Formula: C24H27BrN2O5S MolecularWeight: 535.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2C(CC(CC2=O)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1CC2C(CC(CC2=O)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C24H27BrN2O5S/c25-17-1-3-19(4-2-17)33(31,32)20-14-22(24(29)30)21(23(28)15-20)13-16-7-11-27(12-8-16)18-5-9-26-10-6-18/h1-6,9-10,16,20-22H,7-8,11-15H2,(H,29,30)