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

Systemtic Name: 1-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C23H34N2O6S MolecularWeight: 466.59086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3(CCCCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3(CCCCCC3)C(=O)O

InChI

InChI=1S/C23H34N2O6S/c1-31-20-11-10-18(32(29,30)25-14-8-4-5-9-15-25)16-19(20)24-21(26)17-23(22(27)28)12-6-2-3-7-13-23/h10-11,16H,2-9,12-15,17H2,1H3,(H,24,26)(H,27,28)