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

Systemtic Name: 3-[(E)-3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 3-[(E)-3-(4-methylsulfonylpiperazin-1-yl)-3-oxo-prop-1-enyl]benzonitrile CAS Name: 3-[(E)-3-(4-methylsulfonyl-1-piperazinyl)-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 3-[(E)-3-(4-methylsulfonylpiperazin-1-yl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 3-[(E)-3-keto-3-(4-mesylpiperazino)prop-1-enyl]benzonitrile Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C=CC2=CC=CC(=C2)C#N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)/C=C/C2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H17N3O3S/c1-22(20,21)18-9-7-17(8-10-18)15(19)6-5-13-3-2-4-14(11-13)12-16/h2-6,11H,7-10H2,1H3/b6-5+