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

Systemtic Name: ethyl (E)-3-[[2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[2-[(4-bromo-3-methyl-phenyl)sulfonylamino]anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]anilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]anilino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[2-[(4-bromo-3-methyl-phenyl)sulfonylamino]anilino]-2-cyano-acrylic acid ethyl ester Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O4S/c1-3-27-19(24)14(11-21)12-22-17-6-4-5-7-18(17)23-28(25,26)15-8-9-16(20)13(2)10-15/h4-10,12,22-23H,3H2,1-2H3/b14-12+