2-fluoranyl-4-[2-methoxy-5-[[(phenylmethyl)amino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

Systemtic Name: 2-fluoranyl-4-[2-methoxy-5-[[(phenylmethyl)amino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Openeye Name: 4-[5-[(benzylamino)methyl]-2-methoxy-phenyl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide CAS Name: 2-fluoro-4-[2-methoxy-5-[[(phenylmethyl)amino]methyl]phenyl]-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide IUPAC Name: 4-[5-[(benzylamino)methyl]-2-methoxyphenyl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Traditional Name: 4-[5-[(benzylamino)methyl]-2-methoxy-phenyl]-2-fluoro-N-(2-pyrrolidinoethyl)benzenesulfonamide Formula: C27H32FN3O3S MolecularWeight: 497.624683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2=CC=CC=C2)C3=CC(=C(C=C3)S(=O)(=O)NCCN4CCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2=CC=CC=C2)C3=CC(=C(C=C3)S(=O)(=O)NCCN4CCCC4)F

InChI

InChI=1S/C27H32FN3O3S/c1-34-26-11-9-22(20-29-19-21-7-3-2-4-8-21)17-24(26)23-10-12-27(25(28)18-23)35(32,33)30-13-16-31-14-5-6-15-31/h2-4,7-12,17-18,29-30H,5-6,13-16,19-20H2,1H3