ethyl (E)-3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-cyano-acrylic acid ethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C(=C/NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)/C#N

InChI

InChI=1S/C19H25N3O5S/c1-3-27-19(23)15(13-20)14-21-17-12-16(8-9-18(17)26-2)28(24,25)22-10-6-4-5-7-11-22/h8-9,12,14,21H,3-7,10-11H2,1-2H3/b15-14+