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

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrrolidin-3-yl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrrolidin-3-yl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrrolidinyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)pyrrolidin-3-yl]-3,4-dimethoxy-benzenesulfonamide Formula: C19H22ClFN2O4S MolecularWeight: 428.905383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2CCN(C2)CC3=C(C=CC=C3Cl)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2CCN(C2)CC3=C(C=CC=C3Cl)F)OC

InChI

InChI=1S/C19H22ClFN2O4S/c1-26-18-7-6-14(10-19(18)27-2)28(24,25)22-13-8-9-23(11-13)12-15-16(20)4-3-5-17(15)21/h3-7,10,13,22H,8-9,11-12H2,1-2H3