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

Systemtic Name: methyl 3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(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=C(SC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(SC4=CC=CC=C43)C(=O)OC

InChI

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