2-[4-[(E)-3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(4-methylsulfonylpiperazin-1-yl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(4-methylsulfonyl-1-piperazinyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(4-methylsulfonylpiperazin-1-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-(4-mesylpiperazino)prop-1-enyl]phenoxy]acetonitrile Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-24(21,22)19-11-9-18(10-12-19)16(20)7-4-14-2-5-15(6-3-14)23-13-8-17/h2-7H,9-13H2,1H3/b7-4+