methyl 2-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]thio]acetic acid methyl ester Formula: C17H24N2O5S2 MolecularWeight: 400.51286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5S2/c1-24-17(21)13-25-12-16(20)18-14-6-8-15(9-7-14)26(22,23)19-10-4-2-3-5-11-19/h6-9H,2-5,10-13H2,1H3,(H,18,20)