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

Systemtic Name: ethyl (E)-3-[[2-[(3-acetamido-4-methoxy-phenyl)sulfonylamino]phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[2-[(3-acetamido-4-methoxy-phenyl)sulfonylamino]anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]anilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]anilino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[2-[(3-acetamido-4-methoxy-phenyl)sulfonylamino]anilino]-2-cyano-acrylic acid ethyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O6S/c1-4-31-21(27)15(12-22)13-23-17-7-5-6-8-18(17)25-32(28,29)16-9-10-20(30-3)19(11-16)24-14(2)26/h5-11,13,23,25H,4H2,1-3H3,(H,24,26)/b15-13+