methyl 5-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(1-tosylisonipecotoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5S2/c1-15-3-6-19(7-4-15)32(28,29)25-11-9-16(10-12-25)22(26)24-18-5-8-20-17(13-18)14-21(31-20)23(27)30-2/h3-8,13-14,16H,9-12H2,1-2H3,(H,24,26)