2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)acetamide Formula: C20H20ClN3O3S3 MolecularWeight: 482.0391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H20ClN3O3S3/c21-15-8-7-14(11-18(15)30(26,27)24-9-3-4-10-24)22-19(25)12-28-13-20-23-16-5-1-2-6-17(16)29-20/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,22,25)