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

Systemtic Name: methyl 2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-methylsulfonyl-1-piperazinyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-mesylpiperazino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O5S2 MolecularWeight: 437.53302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S2/c1-27-19(24)17-15(14-6-4-3-5-7-14)13-28-18(17)20-16(23)12-21-8-10-22(11-9-21)29(2,25)26/h3-7,13H,8-12H2,1-2H3,(H,20,23)