1-methylsulfonyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2,3-dihydroindole-5-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2,3-dihydroindole-5-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-1-methylsulfonyl-indoline-5-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-1-mesyl-indoline-5-carboxamide Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O6S/c1-27(25,26)19-7-6-11-8-12(2-4-15(11)19)17(22)18-10-13-9-14(20(23)24)3-5-16(13)21/h2-5,8-9,21H,6-7,10H2,1H3,(H,18,22)