N-(2-methylphenyl)-N-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-(2-methylphenyl)-N-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide Openeye Name: N-(o-tolyl)-N-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide CAS Name: N-(2-methylphenyl)-N-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]methanesulfonamide IUPAC Name: N-(2-methylphenyl)-N-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide Traditional Name: N-[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]-N-(o-tolyl)methanesulfonamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O5S2/c1-19-8-6-7-11-21(19)25(31(2,27)28)18-22(26)23-13-15-24(16-14-23)32(29,30)17-12-20-9-4-3-5-10-20/h3-12,17H,13-16,18H2,1-2H3/b17-12+