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

Systemtic Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile Openeye Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile CAS Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-phenyl-1-piperazinyl)-2-propenenitrile IUPAC Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile Traditional Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-phenylpiperazino)acrylonitrile Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-17-8-9-20(14-18(17)2)27(25,26)21(15-22)16-23-10-12-24(13-11-23)19-6-4-3-5-7-19/h3-9,14,16H,10-13H2,1-2H3/b21-16+