2-[4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]-1H-quinazolin-4-one

Systemtic Name: 2-[4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]-1H-quinazolin-4-one Openeye Name: 2-[4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxo-butyl]-1H-quinazolin-4-one CAS Name: 2-[4-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxobutyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]-1H-quinazolin-4-one Traditional Name: 2-[4-keto-4-(4-nosylpiperazino)butyl]-1H-quinazolin-4-one Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O6S/c28-21(7-3-6-20-23-19-5-2-1-4-18(19)22(29)24-20)25-12-14-26(15-13-25)34(32,33)17-10-8-16(9-11-17)27(30)31/h1-2,4-5,8-11H,3,6-7,12-15H2,(H,23,24,29)