3-(4-methoxyphenyl)-2-(4-nitrophenyl)sulfonyl-3,3a,4,5,6,7-hexahydroindazole

Systemtic Name: 3-(4-methoxyphenyl)-2-(4-nitrophenyl)sulfonyl-3,3a,4,5,6,7-hexahydroindazole Openeye Name: 3-(4-methoxyphenyl)-2-(4-nitrophenyl)sulfonyl-3,3a,4,5,6,7-hexahydroindazole CAS Name: 3-(4-methoxyphenyl)-2-(4-nitrophenyl)sulfonyl-3,3a,4,5,6,7-hexahydroindazole IUPAC Name: 3-(4-methoxyphenyl)-2-(4-nitrophenyl)sulfonyl-3,3a,4,5,6,7-hexahydroindazole Traditional Name: 3-(4-methoxyphenyl)-2-nosyl-3,3a,4,5,6,7-hexahydroindazole Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3CCCCC3=NN2S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2C3CCCCC3=NN2S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-28-16-10-6-14(7-11-16)20-18-4-2-3-5-19(18)21-22(20)29(26,27)17-12-8-15(9-13-17)23(24)25/h6-13,18,20H,2-5H2,1H3