2-(4-methyl-2-nitro-phenoxy)-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone

Systemtic Name: 2-(4-methyl-2-nitro-phenoxy)-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone Openeye Name: 2-(4-methyl-2-nitro-phenoxy)-1-(1-methylsulfonylindolin-5-yl)ethanone CAS Name: 2-(4-methyl-2-nitrophenoxy)-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone IUPAC Name: 2-(4-methyl-2-nitrophenoxy)-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone Traditional Name: 1-(1-mesylindolin-5-yl)-2-(4-methyl-2-nitro-phenoxy)ethanone Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-12-3-6-18(16(9-12)20(22)23)26-11-17(21)14-4-5-15-13(10-14)7-8-19(15)27(2,24)25/h3-6,9-10H,7-8,11H2,1-2H3