ethyl 5-methyl-2-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-besylpiperazino)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S2/c1-3-28-20(25)17-13-15(2)29-19(17)21-18(24)14-22-9-11-23(12-10-22)30(26,27)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3,(H,21,24)