2-[3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]prop-1-enyl]benzenecarbonitrile

Systemtic Name: 2-[3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]prop-1-enyl]benzenecarbonitrile Openeye Name: 2-[3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 2-[3-[4-(benzenesulfonyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 2-[3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 2-[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=CC=C2C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C=CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC=C3

InChI

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