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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-(3-thiophenyl)ethyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-ylethyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-3,4-dimethoxy-benzenesulfonamide Formula: C20H29N2O4S2+ MolecularWeight: 425.58526

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4S2/c1-25-19-8-7-17(13-20(19)26-2)28(23,24)21-14-18(16-9-12-27-15-16)22-10-5-3-4-6-11-22/h7-9,12-13,15,18,21H,3-6,10-11,14H2,1-2H3/p+1/t18-/m1/s1