1-[3-(7-chloranyl-6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonyl-1-ethyl-piperazin-1-ium-2-carboxylic acid

Systemtic Name: 1-[3-(7-chloranyl-6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonyl-1-ethyl-piperazin-1-ium-2-carboxylic acid Openeye Name: 1-[3-(7-chloro-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonyl-1-ethyl-piperazin-1-ium-2-carboxylic acid CAS Name: 1-[3-(7-chloro-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]sulfonyl-1-ethyl-2-piperazin-1-iumcarboxylic acid IUPAC Name: 1-[3-(7-chloro-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]sulfonyl-1-ethylpiperazin-1-ium-2-carboxylic acid Traditional Name: 1-[3-(7-chloro-4-keto-6-nitro-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonyl-1-ethyl-piperazin-1-ium-2-carboxylic acid Formula: C24H27ClN5O8S+ MolecularWeight: 581.01788

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)[N+]2(CCNCC2C(=O)O)CC)C3=NC(=O)C4=CC(=C(C=C4N3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)[N+]2(CCNCC2C(=O)O)CC)C3=NC(=O)C4=CC(=C(C=C4N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H26ClN5O8S/c1-3-9-38-21-6-5-14(39(36,37)30(4-2)8-7-26-13-20(30)24(32)33)10-16(21)22-27-18-12-17(25)19(29(34)35)11-15(18)23(31)28-22/h5-6,10-12,20,26H,3-4,7-9,13H2,1-2H3,(H-,27,28,31,32,33)/p+1