7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[4-(4-methoxyphenyl)sulfonylpiperazino]-6-nitro-1H-quinazolin-4-one Formula: C19H19N5O6S MolecularWeight: 445.44906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O6S/c1-30-13-2-4-14(5-3-13)31(28,29)23-8-6-22(7-9-23)17-11-16-15(10-18(17)24(26)27)19(25)21-12-20-16/h2-5,10-12H,6-9H2,1H3,(H,20,21,25)