5-methyl-1-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]pyrazolidin-3-one

Systemtic Name: 5-methyl-1-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]pyrazolidin-3-one Openeye Name: 5-methyl-1-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]pyrazolidin-3-one CAS Name: 5-methyl-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]-3-pyrazolidinone IUPAC Name: 5-methyl-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]pyrazolidin-3-one Traditional Name: 1-[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]-5-methyl-pyrazolidin-3-one Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN1CC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1CC(=O)NN1CC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O4S/c1-15-13-17(23)19-22(15)14-18(24)20-8-10-21(11-9-20)27(25,26)12-7-16-5-3-2-4-6-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,19,23)/b12-7+