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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-4-methoxy-benzenesulfonamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-(3-thiophenyl)ethyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-ylethyl]-4-methoxybenzenesulfonamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-4-methoxy-benzenesulfonamide Formula: C19H27N2O3S2+ MolecularWeight: 395.55928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3S2/c1-24-17-6-8-18(9-7-17)26(22,23)20-14-19(16-10-13-25-15-16)21-11-4-2-3-5-12-21/h6-10,13,15,19-20H,2-5,11-12,14H2,1H3/p+1/t19-/m1/s1