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

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H27FN4O3S3 MolecularWeight: 510.668183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O3S3/c1-3-25(4-2)13-14-26(22-24-20-16(23)8-5-10-18(20)32-22)21(28)17-9-6-12-27(17)33(29,30)19-11-7-15-31-19/h5,7-8,10-11,15,17H,3-4,6,9,12-14H2,1-2H3