1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-2-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-fluoro-4-methyl-phenyl)pyrrolidine-2-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-fluoro-4-methylphenyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(3-fluoro-4-methyl-phenyl)pyrrolidine-2-carboxamide Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43)F

InChI

InChI=1S/C19H18FN3O3S/c1-12-8-9-13(11-15(12)20)21-19(24)16-6-4-10-23(16)18-14-5-2-3-7-17(14)27(25,26)22-18/h2-3,5,7-9,11,16H,4,6,10H2,1H3,(H,21,24)