2-[3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-keto-3-[4-(3-nitrophenyl)sulfonylpiperazino]propyl]-1H-quinazolin-4-one Formula: C21H21N5O6S MolecularWeight: 471.48634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6S/c27-20(9-8-19-22-18-7-2-1-6-17(18)21(28)23-19)24-10-12-25(13-11-24)33(31,32)16-5-3-4-15(14-16)26(29)30/h1-7,14H,8-13H2,(H,22,23,28)