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

Systemtic Name: N-[6-[4-(4-ethanoylphenyl)piperazin-1-yl]-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-[4-(4-acetylphenyl)piperazin-1-yl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-[4-(4-acetylphenyl)-1-piperazinyl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-[4-(4-acetylphenyl)piperazin-1-yl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[6-[4-(4-acetylphenyl)piperazino]-2,4-diketo-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C21H22N6O7S MolecularWeight: 502.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C4C(=C3)C(=O)N(C(=O)N4)NS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C4C(=C3)C(=O)N(C(=O)N4)NS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O7S/c1-13(28)14-3-5-15(6-4-14)24-7-9-25(10-8-24)18-11-16-17(12-19(18)27(31)32)22-21(30)26(20(16)29)23-35(2,33)34/h3-6,11-12,23H,7-10H2,1-2H3,(H,22,30)