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

Systemtic Name: methyl 3-phenyl-3-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl 3-phenyl-3-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-3-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate Traditional Name: 3-[(1-mesitylsulfonylisonipecotoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S/c1-17-14-18(2)24(19(3)15-17)33(30,31)27-12-10-21(11-13-27)25(29)26-22(16-23(28)32-4)20-8-6-5-7-9-20/h5-9,14-15,21-22H,10-13,16H2,1-4H3,(H,26,29)