methyl 4-[[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[oxo-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C(=O)OC)C)C

InChI

InChI=1S/C25H32N2O5S/c1-16-14-17(2)19(4)23(18(16)3)33(30,31)27-12-10-21(11-13-27)24(28)26-15-20-6-8-22(9-7-20)25(29)32-5/h6-9,14,21H,10-13,15H2,1-5H3,(H,26,28)