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

Systemtic Name: N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-yl-ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-(1-methylindolin-5-yl)-2-(1-piperidyl)ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidinyl)ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(1-methylindolin-5-yl)-2-piperidino-ethyl]-2-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/c1-24-14-11-18-15-17(9-10-19(18)24)21(25-12-5-2-6-13-25)16-23-31(29,30)22-8-4-3-7-20(22)26(27)28/h3-4,7-10,15,21,23H,2,5-6,11-14,16H2,1H3