6-chloranyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]-1H-quinazolin-4-one Formula: C20H20ClN5O5S MolecularWeight: 477.9213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C20H20ClN5O5S/c1-13-2-4-15(26(28)29)11-18(13)32(30,31)25-8-6-24(7-9-25)12-19-22-17-5-3-14(21)10-16(17)20(27)23-19/h2-5,10-11H,6-9,12H2,1H3,(H,22,23,27)