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

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione Traditional Name: 1-(4-benzylsulfonylpiperazino)-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione Formula: C21H26N2O4S2 MolecularWeight: 434.57214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S2/c1-16-14-19(17(2)28-16)20(24)8-9-21(25)22-10-12-23(13-11-22)29(26,27)15-18-6-4-3-5-7-18/h3-7,14H,8-13,15H2,1-2H3