1-(2,5-dimethylphenyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethylphenyl)-4-[4-[(E)-styryl]sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethylphenyl)-4-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylphenyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethylphenyl)-4-[4-[(E)-styryl]sulfonylpiperazino]butane-1,4-dione Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4S/c1-19-8-9-20(2)22(18-19)23(27)10-11-24(28)25-13-15-26(16-14-25)31(29,30)17-12-21-6-4-3-5-7-21/h3-9,12,17-18H,10-11,13-16H2,1-2H3/b17-12+