(1-methylsulfonyl-5-nitro-6-phenylmethoxy-2,3-dihydroindol-3-yl)methyl methanesulfonate

Systemtic Name: (1-methylsulfonyl-5-nitro-6-phenylmethoxy-2,3-dihydroindol-3-yl)methyl methanesulfonate Openeye Name: (6-benzyloxy-1-methylsulfonyl-5-nitro-indolin-3-yl)methyl methanesulfonate CAS Name: methanesulfonic acid (1-methylsulfonyl-5-nitro-6-phenylmethoxy-2,3-dihydroindol-3-yl)methyl ester IUPAC Name: (1-methylsulfonyl-5-nitro-6-phenylmethoxy-2,3-dihydroindol-3-yl)methyl methanesulfonate Traditional Name: methanesulfonic acid (6-benzoxy-1-mesyl-5-nitro-indolin-3-yl)methyl ester Formula: C18H20N2O8S2 MolecularWeight: 456.49

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(C2=CC(=C(C=C21)OCC3=CC=CC=C3)[N+](=O)[O-])COS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)N1CC(C2=CC(=C(C=C21)OCC3=CC=CC=C3)[N+](=O)[O-])COS(=O)(=O)C

InChI

InChI=1S/C18H20N2O8S2/c1-29(23,24)19-10-14(12-28-30(2,25)26)15-8-17(20(21)22)18(9-16(15)19)27-11-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3