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

Systemtic Name: 2-[2-methoxy-4-[(E)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-oxo-3-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-(4-tosylpiperazino)prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=C(C=C3)OCC#N)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC

InChI

InChI=1S/C23H25N3O5S/c1-18-3-7-20(8-4-18)32(28,29)26-14-12-25(13-15-26)23(27)10-6-19-5-9-21(31-16-11-24)22(17-19)30-2/h3-10,17H,12-16H2,1-2H3/b10-6+