2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C19H18ClN3O3S3 MolecularWeight: 468.01252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18ClN3O3S3/c20-14-8-7-13(29(25,26)23-9-3-4-10-23)11-16(14)21-18(24)12-27-19-22-15-5-1-2-6-17(15)28-19/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,24)