N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H20FN5O3S3 MolecularWeight: 505.608603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C21H20FN5O3S3/c22-15-6-7-16-18(14-15)32-21(24-16)26(12-11-25-9-3-8-23-25)20(28)17-4-1-10-27(17)33(29,30)19-5-2-13-31-19/h2-3,5-9,13-14,17H,1,4,10-12H2