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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C23H20FN3O3S3 MolecularWeight: 501.616603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CC3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CC3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C23H20FN3O3S3/c24-17-10-11-18-20(14-17)32-23(25-18)26(15-16-6-2-1-3-7-16)22(28)19-8-4-12-27(19)33(29,30)21-9-5-13-31-21/h1-3,5-7,9-11,13-14,19H,4,8,12,15H2