N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H18F2N4O3S3 MolecularWeight: 520.595126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CC3=CN=CC=C3)C4=NC5=C(C=C(C=C5S4)F)F

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CC3=CN=CC=C3)C4=NC5=C(C=C(C=C5S4)F)F

InChI

InChI=1S/C22H18F2N4O3S3/c23-15-10-16(24)20-18(11-15)33-22(26-20)27(13-14-4-1-7-25-12-14)21(29)17-5-2-8-28(17)34(30,31)19-6-3-9-32-19/h1,3-4,6-7,9-12,17H,2,5,8,13H2