N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C18H19N3O4S4 MolecularWeight: 469.62116

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C18H19N3O4S4/c1-26-18-19-16-9-4-13(12-17(16)27-18)20-28(22,23)14-5-7-15(8-6-14)29(24,25)21-10-2-3-11-21/h4-9,12,20H,2-3,10-11H2,1H3