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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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