methyl 4-(4-fluorophenyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[2-(4-methylsulfonyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[[2-(4-mesylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H22FN3O5S2 MolecularWeight: 455.523483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H22FN3O5S2/c1-28-19(25)17-15(13-3-5-14(20)6-4-13)12-29-18(17)21-16(24)11-22-7-9-23(10-8-22)30(2,26)27/h3-6,12H,7-11H2,1-2H3,(H,21,24)