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

Systemtic Name: N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[4-[3-(4-morpholin-4-iumyl)propylsulfamoyl]phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-1,3-benzothiazole-6-carboxamide Formula: C21H25N4O4S2+ MolecularWeight: 461.5776

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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)N=CS4

Isomeric SMILES

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H24N4O4S2/c26-21(16-2-7-19-20(14-16)30-15-22-19)24-17-3-5-18(6-4-17)31(27,28)23-8-1-9-25-10-12-29-13-11-25/h2-7,14-15,23H,1,8-13H2,(H,24,26)/p+1