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

Systemtic Name: N-benzo[g][1,3]benzothiazol-2-yl-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-benzo[g][1,3]benzothiazol-2-yl-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(2-benzo[g][1,3]benzothiazolyl)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-benzo[g][1,3]benzothiazol-2-yl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-benzo[g][1,3]benzothiazol-2-yl-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C22H18FN3O3S2 MolecularWeight: 455.525023

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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=NC4=C(S3)C5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=NC4=C(S3)C5=CC=CC=C5C=C4

InChI

InChI=1S/C22H18FN3O3S2/c23-15-8-10-16(11-9-15)31(28,29)26-13-3-6-19(26)21(27)25-22-24-18-12-7-14-4-1-2-5-17(14)20(18)30-22/h1-2,4-5,7-12,19H,3,6,13H2,(H,24,25,27)