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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

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