ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-tosylisonipecotoyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H26N2O5S2/c1-3-31-24(28)21-19-6-4-5-7-20(19)32-23(21)25-22(27)17-12-14-26(15-13-17)33(29,30)18-10-8-16(2)9-11-18/h4-11,17H,3,12-15H2,1-2H3,(H,25,27)