methyl 5-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[oxo-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(1-mesitylsulfonylisonipecotoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H28N2O5S2 MolecularWeight: 500.63022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)C

InChI

InChI=1S/C25H28N2O5S2/c1-15-11-16(2)23(17(3)12-15)34(30,31)27-9-7-18(8-10-27)24(28)26-20-5-6-21-19(13-20)14-22(33-21)25(29)32-4/h5-6,11-14,18H,7-10H2,1-4H3,(H,26,28)