N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-thienyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-thiophenyl]-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-thienyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C22H18FN3O3S3 MolecularWeight: 487.590023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=C(C=CS3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=C(C=CS3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H18FN3O3S3/c23-14-7-9-15(10-8-14)32(28,29)26-12-3-5-18(26)20(27)25-21-16(11-13-30-21)22-24-17-4-1-2-6-19(17)31-22/h1-2,4,6-11,13,18H,3,5,12H2,(H,25,27)