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

Systemtic Name: 2-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-1-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-prop-1-enyl]benzonitrile CAS Name: 2-[(E)-3-oxo-3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]prop-1-enyl]benzonitrile IUPAC Name: 2-[(E)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 2-[(E)-3-(4-benzylsulfonylpiperazino)-3-keto-prop-1-enyl]benzonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=CC=C2C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC=CC=C2C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c22-16-20-9-5-4-8-19(20)10-11-21(25)23-12-14-24(15-13-23)28(26,27)17-18-6-2-1-3-7-18/h1-11H,12-15,17H2/b11-10+