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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(2-diethylaminoethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H26F2N4O3S3 MolecularWeight: 528.658646

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H26F2N4O3S3/c1-3-26(4-2)10-11-27(22-25-20-16(24)13-15(23)14-18(20)33-22)21(29)17-7-5-9-28(17)34(30,31)19-8-6-12-32-19/h6,8,12-14,17H,3-5,7,9-11H2,1-2H3