methyl 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H22ClN4O5S+ MolecularWeight: 477.94118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O5S/c1-31-21(28)14-2-7-17-18(12-14)23-19(24-20(17)27)13-25-8-10-26(11-9-25)32(29,30)16-5-3-15(22)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,23,24,27)/p+1