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

Systemtic Name: methyl 4-phenyl-2-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-besylpiperazino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O5S2/c1-32-24(29)22-20(18-8-4-2-5-9-18)17-33-23(22)25-21(28)16-26-12-14-27(15-13-26)34(30,31)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,25,28)