N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C19H17F2N3O4S2 MolecularWeight: 453.482786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(C=C(C=C4S3)F)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(C=C(C=C4S3)F)F

InChI

InChI=1S/C19H17F2N3O4S2/c1-28-12-4-6-13(7-5-12)30(26,27)24-8-2-3-15(24)18(25)23-19-22-17-14(21)9-11(20)10-16(17)29-19/h4-7,9-10,15H,2-3,8H2,1H3,(H,22,23,25)