diethyl 3-methyl-5-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(4-tosylpiperazino)acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H31N3O7S2 MolecularWeight: 537.64884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H31N3O7S2/c1-5-33-23(29)20-17(4)21(24(30)34-6-2)35-22(20)25-19(28)15-26-11-13-27(14-12-26)36(31,32)18-9-7-16(3)8-10-18/h7-10H,5-6,11-15H2,1-4H3,(H,25,28)