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

Systemtic Name: methyl 2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[1-(2,4,6-trimethylphenyl)sulfonyl-3-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[(1-mesitylsulfonylnipecotoyl)amino]benzoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C23H28N2O5S/c1-15-12-16(2)21(17(3)13-15)31(28,29)25-11-7-8-18(14-25)22(26)24-20-10-6-5-9-19(20)23(27)30-4/h5-6,9-10,12-13,18H,7-8,11,14H2,1-4H3,(H,24,26)