ethyl 5-aminocarbonyl-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[4-(4-fluorophenyl)sulfonylpiperazino]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25FN4O6S2 MolecularWeight: 512.574803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O6S2/c1-3-32-21(29)17-13(2)18(19(23)28)33-20(17)24-16(27)12-25-8-10-26(11-9-25)34(30,31)15-6-4-14(22)5-7-15/h4-7H,3,8-12H2,1-2H3,(H2,23,28)(H,24,27)