methyl 3-[[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-14(2)15-4-6-17(7-5-15)30(26,27)23-11-8-16(9-12-23)20(24)22-18-10-13-29-19(18)21(25)28-3/h4-7,10,13-14,16H,8-9,11-12H2,1-3H3,(H,22,24)