7-chloranyl-2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6-nitro-1H-quinazolin-4-one CAS Name: 7-chloro-2-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-6-nitro-1H-quinazolin-4-one Formula: C23H26ClN5O6S MolecularWeight: 536.00044

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=CC(=C(C=C4N3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=CC(=C(C=C4N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H26ClN5O6S/c1-3-11-35-21-6-5-15(36(33,34)28-9-7-27(4-2)8-10-28)12-17(21)22-25-19-14-18(24)20(29(31)32)13-16(19)23(30)26-22/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,25,26,30)