3-(7-azanyl-6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)-4-propoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide

Systemtic Name: 3-(7-azanyl-6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)-4-propoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide Openeye Name: 3-(7-amino-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxy-N-(4-pyridylmethyl)benzenesulfonamide CAS Name: 3-(7-amino-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide IUPAC Name: 3-(7-amino-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide Traditional Name: 3-(7-amino-4-keto-6-nitro-1H-quinazolin-2-yl)-4-propoxy-N-(4-pyridylmethyl)benzenesulfonamide Formula: C23H22N6O6S MolecularWeight: 510.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2)C3=NC(=O)C4=CC(=C(C=C4N3)N)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2)C3=NC(=O)C4=CC(=C(C=C4N3)N)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O6S/c1-2-9-35-21-4-3-15(36(33,34)26-13-14-5-7-25-8-6-14)10-17(21)22-27-19-12-18(24)20(29(31)32)11-16(19)23(30)28-22/h3-8,10-12,26H,2,9,13,24H2,1H3,(H,27,28,30)