N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-5-fluoranyl-2-methoxy-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-5-fluoranyl-2-methoxy-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-fluoro-2-methoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-fluoro-2-methoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-fluoro-2-methoxy-benzenesulfonamide Formula: C19H25FN2O3S2 MolecularWeight: 412.541803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)F)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C19H25FN2O3S2/c1-25-18-7-6-16(20)12-19(18)27(23,24)21-13-17(15-8-11-26-14-15)22-9-4-2-3-5-10-22/h6-8,11-12,14,17,21H,2-5,9-10,13H2,1H3