5-(dimethylsulfamoyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-(dimethylsulfamoyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-(dimethylsulfamoyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-(dimethylsulfamoyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-(dimethylsulfamoyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-(dimethylsulfamoyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-pyrrolidino-benzamide Formula: C21H24N4O3S3 MolecularWeight: 476.63526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C21H24N4O3S3/c1-24(2)31(27,28)15-7-9-18(25-10-4-5-11-25)16(13-15)20(26)22-14-6-8-17-19(12-14)30-21(23-17)29-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,26)