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

Systemtic Name: methyl 2-[[1-(4-methylsulfonylbutyl)cyclobutyl]carbonylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-[[1-(4-methylsulfonylbutyl)cyclobutanecarbonyl]amino]-3-(4-nitrophenyl)propanoate CAS Name: 2-[[[1-(4-methylsulfonylbutyl)cyclobutyl]-oxomethyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylsulfonylbutyl)cyclobutanecarbonyl]amino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[[1-(4-mesylbutyl)cyclobutanecarbonyl]amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2(CCC2)CCCCS(=O)(=O)C

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2(CCC2)CCCCS(=O)(=O)C

InChI

InChI=1S/C20H28N2O7S/c1-29-18(23)17(14-15-6-8-16(9-7-15)22(25)26)21-19(24)20(11-5-12-20)10-3-4-13-30(2,27)28/h6-9,17H,3-5,10-14H2,1-2H3,(H,21,24)