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

Systemtic Name: methyl 4-[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]butanoate CAS Name: 4-[[[1-(2,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]butanoate Traditional Name: 4-[[1-(2,4-dimethylphenyl)sulfonylisonipecotoyl]amino]butyric acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-14-6-7-17(15(2)13-14)27(24,25)21-11-8-16(9-12-21)19(23)20-10-4-5-18(22)26-3/h6-7,13,16H,4-5,8-12H2,1-3H3,(H,20,23)