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

Systemtic Name: methyl 4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]butanoate CAS Name: 4-[[oxo-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]butanoate Traditional Name: 4-[(1-mesitylsulfonylisonipecotoyl)amino]butyric acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-14-12-15(2)19(16(3)13-14)28(25,26)22-10-7-17(8-11-22)20(24)21-9-5-6-18(23)27-4/h12-13,17H,5-11H2,1-4H3,(H,21,24)