methyl 4-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-4-oxo-butanoate CAS Name: 4-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-4-oxobutanoate Traditional Name: 4-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-4-keto-butyric acid methyl ester Formula: C18H26N2O6S MolecularWeight: 398.47384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC(=O)OC

InChI

InChI=1S/C18H26N2O6S/c1-25-16-8-7-14(27(23,24)20-11-5-3-4-6-12-20)13-15(16)19-17(21)9-10-18(22)26-2/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,21)