(E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(4-tosylpiperazine-1-carbonyl)acrylonitrile Formula: C24H30N4O3S MolecularWeight: 454.585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C24H30N4O3S/c1-5-10-28-19(3)15-21(20(28)4)16-22(17-25)24(29)26-11-13-27(14-12-26)32(30,31)23-8-6-18(2)7-9-23/h6-9,15-16H,5,10-14H2,1-4H3/b22-16+