(Z)-2-(4-methylphenyl)sulfonyl-3-phenylazanyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile

Systemtic Name: (Z)-2-(4-methylphenyl)sulfonyl-3-phenylazanyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile Openeye Name: (Z)-3-anilino-3-(4-phenylpiperazin-1-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (Z)-3-anilino-2-(4-methylphenyl)sulfonyl-3-(4-phenyl-1-piperazinyl)-2-propenenitrile IUPAC Name: (Z)-3-anilino-2-(4-methylphenyl)sulfonyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile Traditional Name: (Z)-3-anilino-3-(4-phenylpiperazino)-2-tosyl-acrylonitrile Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=C(NC2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C(/NC2=CC=CC=C2)\N3CCN(CC3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C26H26N4O2S/c1-21-12-14-24(15-13-21)33(31,32)25(20-27)26(28-22-8-4-2-5-9-22)30-18-16-29(17-19-30)23-10-6-3-7-11-23/h2-15,28H,16-19H2,1H3/b26-25-