methyl 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-tosylisonipecotoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C23H28N2O5S2/c1-15-7-9-17(10-8-15)32(28,29)25-13-11-16(12-14-25)21(26)24-22-20(23(27)30-2)18-5-3-4-6-19(18)31-22/h7-10,16H,3-6,11-14H2,1-2H3,(H,24,26)