3-[4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-(4-nosylpiperazine-1-carbonyl)phenyl]quinazolin-4-one Formula: C25H21N5O6S MolecularWeight: 519.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O6S/c31-24(18-5-7-19(8-6-18)29-17-26-23-4-2-1-3-22(23)25(29)32)27-13-15-28(16-14-27)37(35,36)21-11-9-20(10-12-21)30(33)34/h1-12,17H,13-16H2