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

Systemtic Name: 4-[(E)-3-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-[4-(3-chlorophenyl)sulfonylpiperazino]-3-keto-prop-1-enyl]benzonitrile Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3O3S/c21-18-2-1-3-19(14-18)28(26,27)24-12-10-23(11-13-24)20(25)9-8-16-4-6-17(15-22)7-5-16/h1-9,14H,10-13H2/b9-8+