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

Systemtic Name: methyl 3-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[(1-mesitylsulfonylisonipecotoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(SC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(SC=C3)C(=O)OC)C

InChI

InChI=1S/C21H26N2O5S2/c1-13-11-14(2)19(15(3)12-13)30(26,27)23-8-5-16(6-9-23)20(24)22-17-7-10-29-18(17)21(25)28-4/h7,10-12,16H,5-6,8-9H2,1-4H3,(H,22,24)