4-[(E)-3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[4-(benzenesulfonyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-(4-besylpiperazino)-3-keto-prop-1-enyl]benzonitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c21-16-18-8-6-17(7-9-18)10-11-20(24)22-12-14-23(15-13-22)27(25,26)19-4-2-1-3-5-19/h1-11H,12-15H2/b11-10+