N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-fluoranyl-4-methoxy-benzenesulfonamide

Systemtic Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-fluoranyl-4-methoxy-benzenesulfonamide Openeye Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-fluoro-4-methoxy-benzenesulfonamide CAS Name: N-[3-[4-(1-azepanyl)phenyl]propyl]-3-fluoro-4-methoxybenzenesulfonamide IUPAC Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-fluoro-4-methoxybenzenesulfonamide Traditional Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-fluoro-4-methoxy-benzenesulfonamide Formula: C22H29FN2O3S MolecularWeight: 420.540663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCCC2=CC=C(C=C2)N3CCCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCCC2=CC=C(C=C2)N3CCCCCC3)F

InChI

InChI=1S/C22H29FN2O3S/c1-28-22-13-12-20(17-21(22)23)29(26,27)24-14-6-7-18-8-10-19(11-9-18)25-15-4-2-3-5-16-25/h8-13,17,24H,2-7,14-16H2,1H3