methyl 2-(4-nitrophenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylate

Systemtic Name: methyl 2-(4-nitrophenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylate Openeye Name: methyl 2-(4-nitrophenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylate CAS Name: 2-(4-nitrophenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-nitrophenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylate Traditional Name: 2-nosyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylic acid methyl ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2=C(C1)CN(C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCC2=C(C1)CN(C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6S/c1-24-16(19)11-2-3-12-9-17(10-13(12)8-11)25(22,23)15-6-4-14(5-7-15)18(20)21/h4-7,11H,2-3,8-10H2,1H3