ethyl (E)-2-cyano-3-[[2-[(3,4-dimethylphenyl)sulfonylamino]phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[2-[(3,4-dimethylphenyl)sulfonylamino]phenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-[(3,4-dimethylphenyl)sulfonylamino]anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-[(3,4-dimethylphenyl)sulfonylamino]anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-[(3,4-dimethylphenyl)sulfonylamino]anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-[(3,4-dimethylphenyl)sulfonylamino]anilino]acrylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)C)C)/C#N

InChI

InChI=1S/C20H21N3O4S/c1-4-27-20(24)16(12-21)13-22-18-7-5-6-8-19(18)23-28(25,26)17-10-9-14(2)15(3)11-17/h5-11,13,22-23H,4H2,1-3H3/b16-13+