methyl 3-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S2/c1-22(2,3)16-5-7-17(8-6-16)31(27,28)24-12-9-15(10-13-24)20(25)23-18-11-14-30-19(18)21(26)29-4/h5-8,11,14-15H,9-10,12-13H2,1-4H3,(H,23,25)