N-[6-(1H-indol-3-ylmethylamino)-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide

Systemtic Name: N-[6-(1H-indol-3-ylmethylamino)-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-(1H-indol-3-ylmethylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-(1H-indol-3-ylmethylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-(1H-indol-3-ylmethylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[6-(1H-indol-3-ylmethylamino)-2,4-diketo-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C18H16N6O6S MolecularWeight: 444.42124

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCC3=CNC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C18H16N6O6S/c1-31(29,30)22-23-17(25)12-6-15(16(24(27)28)7-14(12)21-18(23)26)20-9-10-8-19-13-5-3-2-4-11(10)13/h2-8,19-20,22H,9H2,1H3,(H,21,26)