propan-2-yl 2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-methylsulfonyl-1-piperazinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-mesylpiperazino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C19H29N3O5S2 MolecularWeight: 443.58066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H29N3O5S2/c1-13(2)27-19(24)17-14-6-4-5-7-15(14)28-18(17)20-16(23)12-21-8-10-22(11-9-21)29(3,25)26/h13H,4-12H2,1-3H3,(H,20,23)