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

Systemtic Name: (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2R)-N-(6-ethyl-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:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O3S2/c1-2-13-5-10-16-18(12-13)28-20(22-16)23-19(25)17-4-3-11-24(17)29(26,27)15-8-6-14(21)7-9-15/h5-10,12,17H,2-4,11H2,1H3,(H,22,23,25)/t17-/m1/s1