1-[2-oxidanylidene-2-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[2-isopropoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-oxo-2-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyanilino]ethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)ethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(2-isopropoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C24H36N2O6S MolecularWeight: 480.61744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3(CCCCCC3)C(=O)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3(CCCCCC3)C(=O)O

InChI

InChI=1S/C24H36N2O6S/c1-18(2)32-21-11-10-19(33(30,31)26-14-8-5-9-15-26)16-20(21)25-22(27)17-24(23(28)29)12-6-3-4-7-13-24/h10-11,16,18H,3-9,12-15,17H2,1-2H3,(H,25,27)(H,28,29)