N-[[2-(dipropylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[[2-(dipropylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[[2-(dipropylamino)indan-5-yl]methyl]-4-nitro-benzenesulfonamide CAS Name: N-[[2-(dipropylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[[2-(dipropylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-4-nitrobenzenesulfonamide Traditional Name: N-[[2-(dipropylamino)indan-5-yl]methyl]-4-nitro-benzenesulfonamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1CC2=C(C1)C=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C1CC2=C(C1)C=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O4S/c1-3-11-24(12-4-2)21-14-18-6-5-17(13-19(18)15-21)16-23-30(28,29)22-9-7-20(8-10-22)25(26)27/h5-10,13,21,23H,3-4,11-12,14-16H2,1-2H3