4-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide

Systemtic Name: 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide Openeye Name: 4-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide CAS Name: 4-[[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]hydrazo]-oxomethyl]-N-(4-fluorophenyl)benzenesulfonamide IUPAC Name: 4-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide Traditional Name: 4-[[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide Formula: C22H17FN4O4S3 MolecularWeight: 516.588183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN4O4S3/c23-15-7-9-16(10-8-15)27-34(30,31)17-11-5-14(6-12-17)21(29)26-25-20(28)13-32-22-24-18-3-1-2-4-19(18)33-22/h1-12,27H,13H2,(H,25,28)(H,26,29)