N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C18H21FN2O4S2 MolecularWeight: 412.498743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)F

InChI

InChI=1S/C18H21FN2O4S2/c1-14-12-15(4-9-18(14)19)13-20-26(22,23)16-5-7-17(8-6-16)27(24,25)21-10-2-3-11-21/h4-9,12,20H,2-3,10-11,13H2,1H3