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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]benzenesulfonamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-(3-thiophenyl)ethyl]benzenesulfonamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]benzenesulfonamide Formula: C18H25N2O2S2+ MolecularWeight: 365.5333

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](CNS(=O)(=O)C2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C18H24N2O2S2/c21-24(22,17-8-4-3-5-9-17)19-14-18(16-10-13-23-15-16)20-11-6-1-2-7-12-20/h3-5,8-10,13,15,18-19H,1-2,6-7,11-12,14H2/p+1/t18-/m1/s1