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

Systemtic Name: dimethyl 5-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[4-(4-fluorophenyl)sulfonylpiperazino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H24FN3O7S2 MolecularWeight: 513.559563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C21H24FN3O7S2/c1-13-17(20(27)31-2)19(33-18(13)21(28)32-3)23-16(26)12-24-8-10-25(11-9-24)34(29,30)15-6-4-14(22)5-7-15/h4-7H,8-12H2,1-3H3,(H,23,26)