4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-ethyl-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-ethyl-3-nitro-N-phenylbenzenesulfonamide Traditional Name: N-ethyl-4-(indolizidin-1-ylamino)-3-nitro-N-phenyl-benzenesulfonamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCN4C3CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCN4C3CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4S/c1-2-25(17-8-4-3-5-9-17)31(29,30)18-11-12-19(22(16-18)26(27)28)23-20-13-15-24-14-7-6-10-21(20)24/h3-5,8-9,11-12,16,20-21,23H,2,6-7,10,13-15H2,1H3