1-(2,5-dimethylthiophen-3-yl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-[(E)-styryl]sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-[(E)-styryl]sulfonylpiperazino]butane-1,4-dione Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S2/c1-17-16-20(18(2)29-17)21(25)8-9-22(26)23-11-13-24(14-12-23)30(27,28)15-10-19-6-4-3-5-7-19/h3-7,10,15-16H,8-9,11-14H2,1-2H3/b15-10+