N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-yl-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-yl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-(1-methylindolin-5-yl)-2-(1-piperidyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidinyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(1-methylindolin-5-yl)-2-piperidino-ethyl]-3-nitro-benzenesulfonamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)C(CNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C22H28N4O4S/c1-24-13-10-18-14-17(8-9-21(18)24)22(25-11-3-2-4-12-25)16-23-31(29,30)20-7-5-6-19(15-20)26(27)28/h5-9,14-15,22-23H,2-4,10-13,16H2,1H3