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

Systemtic Name: 1-[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl]cycloheptanecarboxylic acid Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3(CCCCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3(CCCCCC3)C(=O)O

InChI

InChI=1S/C22H32N2O6S/c1-30-19-10-9-17(31(28,29)24-13-7-4-8-14-24)15-18(19)23-20(25)16-22(21(26)27)11-5-2-3-6-12-22/h9-10,15H,2-8,11-14,16H2,1H3,(H,23,25)(H,26,27)