2-[1-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]propyl]-3-methyl-quinazolin-4-one

Systemtic Name: 2-[1-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]propyl]-3-methyl-quinazolin-4-one Openeye Name: 2-[1-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazin-1-yl]propyl]-3-methyl-quinazolin-4-one CAS Name: 2-[1-[4-(4-chloro-3-nitrophenyl)sulfonyl-1-piperazinyl]propyl]-3-methyl-4-quinazolinone IUPAC Name: 2-[1-[4-(4-chloro-3-nitrophenyl)sulfonylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one Traditional Name: 2-[1-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazino]propyl]-3-methyl-quinazolin-4-one Formula: C22H24ClN5O5S MolecularWeight: 505.97446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1C)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=NC2=CC=CC=C2C(=O)N1C)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN5O5S/c1-3-19(21-24-18-7-5-4-6-16(18)22(29)25(21)2)26-10-12-27(13-11-26)34(32,33)15-8-9-17(23)20(14-15)28(30)31/h4-9,14,19H,3,10-13H2,1-2H3