N-[(1,2-dimethylindol-5-yl)methyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(1,2-dimethylindol-5-yl)methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1,2-dimethylindol-5-yl)methyl]-4-nitro-benzenesulfonamide CAS Name: N-[(1,2-dimethyl-5-indolyl)methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(1,2-dimethylindol-5-yl)methyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1,2-dimethylindol-5-yl)methyl]-4-nitro-benzenesulfonamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C)C=CC(=C2)CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(N1C)C=CC(=C2)CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-12-9-14-10-13(3-8-17(14)19(12)2)11-18-25(23,24)16-6-4-15(5-7-16)20(21)22/h3-10,18H,11H2,1-2H3