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

Systemtic Name: (E)-2-(4-methylphenyl)sulfonyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-phenylpiperazin-1-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-2-(4-methylphenyl)sulfonyl-3-(4-phenyl-1-piperazinyl)-2-propenenitrile IUPAC Name: (E)-2-(4-methylphenyl)sulfonyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-phenylpiperazino)-2-tosyl-acrylonitrile Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CN2CCN(CC2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/N2CCN(CC2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C20H21N3O2S/c1-17-7-9-19(10-8-17)26(24,25)20(15-21)16-22-11-13-23(14-12-22)18-5-3-2-4-6-18/h2-10,16H,11-14H2,1H3/b20-16+