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

Systemtic Name: diethyl 3-methyl-5-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-besylpiperazino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H29N3O7S2 MolecularWeight: 523.62226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O7S2/c1-4-32-22(28)19-16(3)20(23(29)33-5-2)34-21(19)24-18(27)15-25-11-13-26(14-12-25)35(30,31)17-9-7-6-8-10-17/h6-10H,4-5,11-15H2,1-3H3,(H,24,27)