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

Systemtic Name: methyl 4-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(1-azepanylsulfonyl)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(azepan-1-ylsulfonyl)anilino]-4-keto-butyric acid methyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H24N2O5S/c1-24-17(21)11-10-16(20)18-14-6-8-15(9-7-14)25(22,23)19-12-4-2-3-5-13-19/h6-9H,2-5,10-13H2,1H3,(H,18,20)