N-tert-butyl-3-nitro-4-(2-quinolin-8-ylethylamino)benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-(2-quinolin-8-ylethylamino)benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[2-(8-quinolyl)ethylamino]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[2-(8-quinolinyl)ethylamino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-(2-quinolin-8-ylethylamino)benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-[2-(8-quinolyl)ethylamino]benzenesulfonamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-21(2,3)24-30(28,29)17-9-10-18(19(14-17)25(26)27)22-13-11-16-7-4-6-15-8-5-12-23-20(15)16/h4-10,12,14,22,24H,11,13H2,1-3H3