1-(4-bromophenyl)sulfonyl-N-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(4-bromophenyl)sulfonyl-N-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-2-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-(3-fluoro-4-methyl-phenyl)pyrrolidine-2-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide Traditional Name: 1-brosyl-N-(3-fluoro-4-methyl-phenyl)pyrrolidine-2-carboxamide Formula: C18H18BrFN2O3S MolecularWeight: 441.314523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C18H18BrFN2O3S/c1-12-4-7-14(11-16(12)20)21-18(23)17-3-2-10-22(17)26(24,25)15-8-5-13(19)6-9-15/h4-9,11,17H,2-3,10H2,1H3,(H,21,23)