(E)-2-cyano-3-[(4-methylphenyl)sulfonylamino]-3-methylsulfanyl-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[(4-methylphenyl)sulfonylamino]-3-methylsulfanyl-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-methylsulfanyl-3-(p-tolylsulfonylamino)prop-2-enamide CAS Name: (E)-2-cyano-3-[(4-methylphenyl)sulfonylamino]-3-(methylthio)-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-[(4-methylphenyl)sulfonylamino]-3-methylsulfanylprop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-(methylthio)-3-(tosylamino)acrylamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=C(C#N)C(=O)NCC2=CC=CC=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/C(=C(/C#N)\C(=O)NCC2=CC=CC=C2)/SC

InChI

InChI=1S/C19H19N3O3S2/c1-14-8-10-16(11-9-14)27(24,25)22-19(26-2)17(12-20)18(23)21-13-15-6-4-3-5-7-15/h3-11,22H,13H2,1-2H3,(H,21,23)/b19-17+