methyl 4,5-dimethyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(1-tosylisonipecotoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-13-5-7-17(8-6-13)30(26,27)23-11-9-16(10-12-23)19(24)22-20-18(21(25)28-4)14(2)15(3)29-20/h5-8,16H,9-12H2,1-4H3,(H,22,24)