N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-ethoxy-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-ethoxy-3-fluoranyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-ethoxy-3-fluoro-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-ethoxy-3-fluorobenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-ethoxy-3-fluorobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-ethoxy-3-fluoro-benzenesulfonamide Formula: C20H27FN2O3S2 MolecularWeight: 426.568383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)F

InChI

InChI=1S/C20H27FN2O3S2/c1-2-26-20-8-7-17(13-18(20)21)28(24,25)22-14-19(16-9-12-27-15-16)23-10-5-3-4-6-11-23/h7-9,12-13,15,19,22H,2-6,10-11,14H2,1H3