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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]-3-fluoranyl-4-methoxy-benzenesulfonamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-3-fluoro-4-methoxy-benzenesulfonamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-(3-thiophenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-3-fluoro-4-methoxy-benzenesulfonamide Formula: C19H26FN2O3S2+ MolecularWeight: 413.549743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)[NH+]3CCCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC[C@H](C2=CSC=C2)[NH+]3CCCCCC3)F

InChI

InChI=1S/C19H25FN2O3S2/c1-25-19-7-6-16(12-17(19)20)27(23,24)21-13-18(15-8-11-26-14-15)22-9-4-2-3-5-10-22/h6-8,11-12,14,18,21H,2-5,9-10,13H2,1H3/p+1/t18-/m1/s1