methyl 2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 2-[[oxo-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotoyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CS3)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CS3)C(=O)OC)C)C

InChI

InChI=1S/C22H28N2O5S2/c1-13-12-14(2)16(4)19(15(13)3)31(27,28)24-9-6-17(7-10-24)20(25)23-21-18(8-11-30-21)22(26)29-5/h8,11-12,17H,6-7,9-10H2,1-5H3,(H,23,25)