N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[4-[3-(4-morpholin-4-iumyl)propylsulfamoyl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C22H27N4O5S2+ MolecularWeight: 491.60358

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C22H26N4O5S2/c27-21-15-32-20-7-2-16(14-19(20)25-21)22(28)24-17-3-5-18(6-4-17)33(29,30)23-8-1-9-26-10-12-31-13-11-26/h2-7,14,23H,1,8-13,15H2,(H,24,28)(H,25,27)/p+1