ethyl 4-ethyl-5-methyl-2-[2-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-2-[[2-[4-(4-isobutylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[2-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-[4-(4-isobutylphenyl)sulfonylpiperazino]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H37N3O5S2 MolecularWeight: 535.71908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C)C

InChI

InChI=1S/C26H37N3O5S2/c1-6-22-19(5)35-25(24(22)26(31)34-7-2)27-23(30)17-28-12-14-29(15-13-28)36(32,33)21-10-8-20(9-11-21)16-18(3)4/h8-11,18H,6-7,12-17H2,1-5H3,(H,27,30)