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

Systemtic Name: 1-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]cyclohexanecarboxylic 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)N2CCCCCC2)NC(=O)CC3(CCCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3(CCCCC3)C(=O)O

InChI

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