1-(4-chlorophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(4-chlorophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide CAS Name: 1-(4-chlorophenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(4-chlorophenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]pyrrolidine-2-carboxamide Formula: C19H18ClN3O3S3 MolecularWeight: 468.01252

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H18ClN3O3S3/c1-27-19-22-15-9-6-13(11-17(15)28-19)21-18(24)16-3-2-10-23(16)29(25,26)14-7-4-12(20)5-8-14/h4-9,11,16H,2-3,10H2,1H3,(H,21,24)