methyl (E)-3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[(4-cyanoanilino)-oxomethyl]-(2-methylsulfonyloxyethyl)amino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]acrylic acid methyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H21N3O6S/c1-29-20(25)12-7-16-5-10-19(11-6-16)24(13-14-30-31(2,27)28)21(26)23-18-8-3-17(15-22)4-9-18/h3-12H,13-14H2,1-2H3,(H,23,26)/b12-7+