[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C18H16FN3O7S MolecularWeight: 437.398943

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN3O7S/c1-30(27,28)21-7-6-11-8-12(2-5-15(11)21)18(24)29-10-17(23)20-13-3-4-14(19)16(9-13)22(25)26/h2-5,8-9H,6-7,10H2,1H3,(H,20,23)