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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4,5-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=C(C2=C(C=C1)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F)C

InChI

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