N-[2-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]phenyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(4,6-diamino-s-triazin-2-yl)phenyl]-4-nitro-benzenesulfonamide Formula: C15H13N7O4S MolecularWeight: 387.37322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N7O4S/c16-14-18-13(19-15(17)20-14)11-3-1-2-4-12(11)21-27(25,26)10-7-5-9(6-8-10)22(23)24/h1-8,21H,(H4,16,17,18,19,20)