4-[(2-methyl-5,7-dinitro-quinolin-8-yl)amino]benzenesulfonamide

Systemtic Name: 4-[(2-methyl-5,7-dinitro-quinolin-8-yl)amino]benzenesulfonamide Openeye Name: 4-[(2-methyl-5,7-dinitro-8-quinolyl)amino]benzenesulfonamide CAS Name: 4-[(2-methyl-5,7-dinitro-8-quinolinyl)amino]benzenesulfonamide IUPAC Name: 4-[(2-methyl-5,7-dinitroquinolin-8-yl)amino]benzenesulfonamide Traditional Name: 4-[(2-methyl-5,7-dinitro-8-quinolyl)amino]benzenesulfonamide Formula: C16H13N5O6S MolecularWeight: 403.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC(=C2NC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC(=C2NC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O6S/c1-9-2-7-12-13(20(22)23)8-14(21(24)25)16(15(12)18-9)19-10-3-5-11(6-4-10)28(17,26)27/h2-8,19H,1H3,(H2,17,26,27)