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

Systemtic Name: methyl 4-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]butanoate CAS Name: 4-[[oxo-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]butanoate Traditional Name: 4-[[1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotoyl]amino]butyric acid methyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-14-13-15(2)17(4)20(16(14)3)29(26,27)23-11-8-18(9-12-23)21(25)22-10-6-7-19(24)28-5/h13,18H,6-12H2,1-5H3,(H,22,25)