2-[(6-ethoxy-1,3-benzothiazol-3-ium-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-3-ium-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-3-ium-2-yl)sulfanyl]-N-[4-(2-pyridylsulfamoyl)phenyl]acetamide CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-3-ium-2-yl)thio]-N-[4-(2-pyridinylsulfamoyl)phenyl]acetamide IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-3-ium-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-3-ium-2-yl)thio]-N-[4-(2-pyridylsulfamoyl)phenyl]acetamide Formula: C22H21N4O4S3+ MolecularWeight: 501.62154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(S2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(S2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4

InChI

InChI=1S/C22H20N4O4S3/c1-2-30-16-8-11-18-19(13-16)32-22(25-18)31-14-21(27)24-15-6-9-17(10-7-15)33(28,29)26-20-5-3-4-12-23-20/h3-13H,2,14H2,1H3,(H,23,26)(H,24,27)/p+1