methyl (Z)-3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-cyano-prop-2-enoate

Systemtic Name: methyl (Z)-3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: methyl (Z)-3-[4-(azepan-1-ylsulfonyl)anilino]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[4-(1-azepanylsulfonyl)anilino]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-[4-(azepan-1-ylsulfonyl)anilino]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[4-(azepan-1-ylsulfonyl)anilino]-2-cyano-acrylic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CNC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C#N

Isomeric SMILES

COC(=O)/C(=C\NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)/C#N

InChI

InChI=1S/C17H21N3O4S/c1-24-17(21)14(12-18)13-19-15-6-8-16(9-7-15)25(22,23)20-10-4-2-3-5-11-20/h6-9,13,19H,2-5,10-11H2,1H3/b14-13-