3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propionamide Formula: C21H25N4O3S2+ MolecularWeight: 445.5782

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H24N4O3S2/c22-30(27,28)17-7-5-16(6-8-17)23-20(26)11-14-25-12-9-15(10-13-25)21-24-18-3-1-2-4-19(18)29-21/h1-8,15H,9-14H2,(H,23,26)(H2,22,27,28)/p+1