4-[[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]methyl]benzenesulfonamide Openeye Name: 4-[[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]benzenesulfonamide CAS Name: 4-[[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]benzenesulfonamide IUPAC Name: 4-[[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]benzenesulfonamide Traditional Name: 4-[[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]benzenesulfonamide Formula: C16H15N5O6S MolecularWeight: 405.3852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C16H15N5O6S/c17-28(26,27)12-3-1-9(2-4-12)7-18-8-10-5-11(21(24)25)6-13-14(10)20-16(23)15(22)19-13/h1-6,18H,7-8H2,(H,19,22)(H,20,23)(H2,17,26,27)