6-chloranyl-2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]-1H-quinazolin-4-one Formula: C19H18ClN5O5S MolecularWeight: 463.89472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O5S/c20-13-4-5-17-16(10-13)19(26)22-18(21-17)12-23-6-8-24(9-7-23)31(29,30)15-3-1-2-14(11-15)25(27)28/h1-5,10-11H,6-9,12H2,(H,21,22,26)