methyl 2-cyclopentyl-2-isocyanato-7-methylsulfonyl-3-(4-nitrophenyl)heptanoate

Systemtic Name: methyl 2-cyclopentyl-2-isocyanato-7-methylsulfonyl-3-(4-nitrophenyl)heptanoate Openeye Name: methyl 2-cyclopentyl-2-isocyanato-7-methylsulfonyl-3-(4-nitrophenyl)heptanoate CAS Name: 2-cyclopentyl-2-isocyanato-7-methylsulfonyl-3-(4-nitrophenyl)heptanoic acid methyl ester IUPAC Name: methyl 2-cyclopentyl-2-isocyanato-7-methylsulfonyl-3-(4-nitrophenyl)heptanoate Traditional Name: 2-cyclopentyl-2-isocyanato-7-mesyl-3-(4-nitrophenyl)enanthic acid methyl ester Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCC1)(C(CCCCS(=O)(=O)C)C2=CC=C(C=C2)[N+](=O)[O-])N=C=O

Isomeric SMILES

COC(=O)C(C1CCCC1)(C(CCCCS(=O)(=O)C)C2=CC=C(C=C2)[N+](=O)[O-])N=C=O

InChI

InChI=1S/C21H28N2O7S/c1-30-20(25)21(22-15-24,17-7-3-4-8-17)19(9-5-6-14-31(2,28)29)16-10-12-18(13-11-16)23(26)27/h10-13,17,19H,3-9,14H2,1-2H3