3-[4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Formula: C26H23N5O7S MolecularWeight: 549.55512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O7S/c1-38-24-11-10-20(16-23(24)31(34)35)39(36,37)29-14-12-28(13-15-29)25(32)18-6-8-19(9-7-18)30-17-27-22-5-3-2-4-21(22)26(30)33/h2-11,16-17H,12-15H2,1H3