1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(3-nitrophenoxy)ethanone

Systemtic Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(3-nitrophenoxy)ethanone Openeye Name: 1-[(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]-2-(3-nitrophenoxy)ethanone CAS Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(3-nitrophenoxy)ethanone IUPAC Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(3-nitrophenoxy)ethanone Traditional Name: 1-[(2S)-1-mesyl-2-methyl-indolin-5-yl]-2-(3-nitrophenoxy)ethanone Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-12-8-14-9-13(6-7-17(14)19(12)27(2,24)25)18(21)11-26-16-5-3-4-15(10-16)20(22)23/h3-7,9-10,12H,8,11H2,1-2H3/t12-/m0/s1