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

Systemtic Name: 4-fluoranyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide Openeye Name: 4-fluoro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide CAS Name: 4-fluoro-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide IUPAC Name: 4-fluoro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide Traditional Name: 4-fluoro-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide Formula: C17H16FN3O4S3 MolecularWeight: 441.520043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C17H16FN3O4S3/c18-12-3-5-13(6-4-12)27(22,23)20-17-19-15-8-7-14(11-16(15)26-17)28(24,25)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,19,20)