2-[1-[3-(7-azanyl-6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonylpiperazin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-[3-(7-azanyl-6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonylpiperazin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-[3-(7-amino-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonylpiperazin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[3-(7-amino-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]sulfonyl-1-piperazin-1-iumyl]acetic acid IUPAC Name: 2-[1-[3-(7-amino-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]sulfonylpiperazin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-[3-(7-amino-4-keto-6-nitro-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonylpiperazin-1-ium-1-yl]acetic acid Formula: C23H27N6O8S+ MolecularWeight: 547.56088

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)[N+]2(CCNCC2)CC(=O)O)C3=NC(=O)C4=CC(=C(C=C4N3)N)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)[N+]2(CCNCC2)CC(=O)O)C3=NC(=O)C4=CC(=C(C=C4N3)N)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O8S/c1-2-9-37-20-4-3-14(38(35,36)29(13-21(30)31)7-5-25-6-8-29)10-16(20)22-26-18-12-17(24)19(28(33)34)11-15(18)23(32)27-22/h3-4,10-12,25H,2,5-9,13H2,1H3,(H3-,24,26,27,30,31,32)/p+1