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

Systemtic Name: 2-[1-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]propyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[1-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazin-1-yl]propyl]quinazolin-4-one CAS Name: 2-[1-[4-(4-chloro-3-nitrophenyl)sulfonyl-1-piperazinyl]propyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[1-[4-(4-chloro-3-nitrophenyl)sulfonylpiperazin-1-yl]propyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[1-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazino]propyl]quinazolin-4-one Formula: C28H28ClN5O5S MolecularWeight: 582.07042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H28ClN5O5S/c1-2-25(27-30-24-11-7-6-10-22(24)28(35)33(27)19-20-8-4-3-5-9-20)31-14-16-32(17-15-31)40(38,39)21-12-13-23(29)26(18-21)34(36)37/h3-13,18,25H,2,14-17,19H2,1H3