(E)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-tosyl-acrylonitrile Formula: C19H22N2O2S MolecularWeight: 342.45518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N(C(=C2)C)C(C)C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2S/c1-13(2)21-15(4)10-17(16(21)5)11-19(12-20)24(22,23)18-8-6-14(3)7-9-18/h6-11,13H,1-5H3/b19-11+