N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrrolidin-3-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrrolidin-3-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrrolidin-3-yl]-4-(1,1-dimethylpropyl)benzenesulfonamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrrolidinyl]-4-(2-methylbutan-2-yl)benzenesulfonamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide Traditional Name: 4-tert-amyl-N-[1-(2-chloro-6-fluoro-benzyl)pyrrolidin-3-yl]benzenesulfonamide Formula: C22H28ClFN2O2S MolecularWeight: 438.986323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2CCN(C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2CCN(C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H28ClFN2O2S/c1-4-22(2,3)16-8-10-18(11-9-16)29(27,28)25-17-12-13-26(14-17)15-19-20(23)6-5-7-21(19)24/h5-11,17,25H,4,12-15H2,1-3H3