4-[(E)-3-oxidanylidene-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-oxidanylidene-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-oxo-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-oxo-3-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]prop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-oxo-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]prop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-keto-3-[4-(4-propylphenyl)sulfonylpiperazino]prop-1-enyl]benzonitrile Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H25N3O3S/c1-2-3-19-8-11-22(12-9-19)30(28,29)26-16-14-25(15-17-26)23(27)13-10-20-4-6-21(18-24)7-5-20/h4-13H,2-3,14-17H2,1H3/b13-10+