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

Systemtic Name: 5-(4-bromophenyl)sulfonyl-2-[[1-(3-chloranylpyridin-4-yl)piperidin-4-yl]methyl]-3-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 5-(4-bromophenyl)sulfonyl-2-[[1-(3-chloro-4-pyridyl)-4-piperidyl]methyl]-3-oxo-cyclohexanecarboxylic acid CAS Name: 5-(4-bromophenyl)sulfonyl-2-[[1-(3-chloro-4-pyridinyl)-4-piperidinyl]methyl]-3-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 5-(4-bromophenyl)sulfonyl-2-[[1-(3-chloropyridin-4-yl)piperidin-4-yl]methyl]-3-oxocyclohexane-1-carboxylic acid Traditional Name: 5-brosyl-2-[[1-(3-chloro-4-pyridyl)-4-piperidyl]methyl]-3-keto-cyclohexanecarboxylic acid Formula: C24H26BrClN2O5S MolecularWeight: 569.89564

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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=C(C=NC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrClN2O5S/c25-16-1-3-17(4-2-16)34(32,33)18-12-20(24(30)31)19(23(29)13-18)11-15-6-9-28(10-7-15)22-5-8-27-14-21(22)26/h1-5,8,14-15,18-20H,6-7,9-13H2,(H,30,31)