[6-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-5,5-dimethyl-hexyl] (4-nitrophenyl) carbonate

Systemtic Name: [6-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-5,5-dimethyl-hexyl] (4-nitrophenyl) carbonate Openeye Name: [6-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-5,5-dimethyl-hexyl] (4-nitrophenyl) carbonate CAS Name: carbonic acid [6-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-5,5-dimethylhexyl] (4-nitrophenyl) ester IUPAC Name: [6-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-5,5-dimethylhexyl] (4-nitrophenyl) carbonate Traditional Name: carbonic acid [6-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-5,5-dimethyl-hexyl] (4-nitrophenyl) ester Formula: C26H34N2O9S MolecularWeight: 550.62116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)(C)CCCCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CN(CC(C)(C)CCCCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C26H34N2O9S/c1-19(2)16-27(38(32,33)22-11-12-23-24(15-22)36-18-35-23)17-26(3,4)13-5-6-14-34-25(29)37-21-9-7-20(8-10-21)28(30)31/h7-12,15,19H,5-6,13-14,16-18H2,1-4H3