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

Systemtic Name: methyl 4-(4-methylphenyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[2-(4-methylsulfonyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-mesylpiperazino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)S(=O)(=O)C

InChI

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