methyl 3-(4-methylphenyl)-2-[[1-(4-methylsulfonylbutyl)cyclobutyl]carbonylamino]propanoate

Systemtic Name: methyl 3-(4-methylphenyl)-2-[[1-(4-methylsulfonylbutyl)cyclobutyl]carbonylamino]propanoate Openeye Name: methyl 2-[[1-(4-methylsulfonylbutyl)cyclobutanecarbonyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-(4-methylphenyl)-2-[[[1-(4-methylsulfonylbutyl)cyclobutyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)-2-[[1-(4-methylsulfonylbutyl)cyclobutanecarbonyl]amino]propanoate Traditional Name: 2-[[1-(4-mesylbutyl)cyclobutanecarbonyl]amino]-3-(p-tolyl)propionic acid methyl ester Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2(CCC2)CCCCS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2(CCC2)CCCCS(=O)(=O)C

InChI

InChI=1S/C21H31NO5S/c1-16-7-9-17(10-8-16)15-18(19(23)27-2)22-20(24)21(12-6-13-21)11-4-5-14-28(3,25)26/h7-10,18H,4-6,11-15H2,1-3H3,(H,22,24)