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

Systemtic Name: methyl 2-[[1-(4-methylsulfonylbutyl)cyclopentyl]carbonylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-[[1-(4-methylsulfonylbutyl)cyclopentanecarbonyl]amino]-3-(4-nitrophenyl)propanoate CAS Name: 2-[[[1-(4-methylsulfonylbutyl)cyclopentyl]-oxomethyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylsulfonylbutyl)cyclopentanecarbonyl]amino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[[1-(4-mesylbutyl)cyclopentanecarbonyl]amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C21H30N2O7S MolecularWeight: 454.5371

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2(CCCC2)CCCCS(=O)(=O)C

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2(CCCC2)CCCCS(=O)(=O)C

InChI

InChI=1S/C21H30N2O7S/c1-30-19(24)18(15-16-7-9-17(10-8-16)23(26)27)22-20(25)21(11-3-4-12-21)13-5-6-14-31(2,28)29/h7-10,18H,3-6,11-15H2,1-2H3,(H,22,25)