N-(2-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-6-sulfonamide

Systemtic Name: N-(2-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-6-sulfonamide Openeye Name: N-(2-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-thioxo-1H-quinazoline-6-sulfonamide CAS Name: N-(2-methoxyphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-6-sulfonamide IUPAC Name: N-(2-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-6-sulfonamide Traditional Name: 4-keto-N-(2-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazoline-6-sulfonamide Formula: C22H27N4O5S2+ MolecularWeight: 491.60358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=S)N(C3=O)CCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=S)N(C3=O)CCC[NH+]4CCOCC4

InChI

InChI=1S/C22H26N4O5S2/c1-30-20-6-3-2-5-19(20)24-33(28,29)16-7-8-18-17(15-16)21(27)26(22(32)23-18)10-4-9-25-11-13-31-14-12-25/h2-3,5-8,15,24H,4,9-14H2,1H3,(H,23,32)/p+1