N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]-3-fluoranyl-N-methyl-benzenesulfonamide

Systemtic Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]-3-fluoranyl-N-methyl-benzenesulfonamide Openeye Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]-3-fluoro-N-methyl-benzenesulfonamide CAS Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-2-pyrrolidinyl]-3-fluoro-N-methylbenzenesulfonamide IUPAC Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]-3-fluoro-N-methylbenzenesulfonamide Traditional Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]-3-fluoro-N-methyl-benzenesulfonamide Formula: C27H28FN3O3S MolecularWeight: 493.592923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN1CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CN(C1CCCN1CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C27H28FN3O3S/c1-30(35(32,33)26-6-2-5-24(28)19-26)27-7-3-16-31(27)17-4-18-34-25-14-12-23(13-15-25)22-10-8-21(20-29)9-11-22/h2,5-6,8-15,19,27H,3-4,7,16-18H2,1H3