1-(2-methoxy-5-methyl-phenyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(2-methoxy-5-methyl-phenyl)-4-[4-(2-thienylsulfonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2-methoxy-5-methylphenyl)-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)butane-1,4-dione IUPAC Name: 1-(2-methoxy-5-methylphenyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(2-methoxy-5-methyl-phenyl)-4-[4-(2-thienylsulfonyl)piperazino]butane-1,4-dione Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N2O5S2/c1-15-5-7-18(27-2)16(14-15)17(23)6-8-19(24)21-9-11-22(12-10-21)29(25,26)20-4-3-13-28-20/h3-5,7,13-14H,6,8-12H2,1-2H3