4-[(E)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-3-keto-prop-1-enyl]benzonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-17-3-9-21(18(2)15-17)29(27,28)25-13-11-24(12-14-25)22(26)10-8-19-4-6-20(16-23)7-5-19/h3-10,15H,11-14H2,1-2H3/b10-8+