N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C20H20FN3O3S2 MolecularWeight: 433.519503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O3S2/c1-12-10-16-18(11-13(12)2)28-20(22-16)23-19(25)17-4-3-9-24(17)29(26,27)15-7-5-14(21)6-8-15/h5-8,10-11,17H,3-4,9H2,1-2H3,(H,22,23,25)