N-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]phenyl]sulfonylbenzamide Formula: C22H17N3O4S3 MolecularWeight: 483.58308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17N3O4S3/c26-20(14-30-22-24-18-8-4-5-9-19(18)31-22)23-16-10-12-17(13-11-16)32(28,29)25-21(27)15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26)(H,25,27)