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

Systemtic Name: 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-(3-thiophenyl)ethyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]benzenesulfonamide Formula: C18H25N2O4S2+ MolecularWeight: 397.5321

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)[NH+]3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC[C@H](C2=CSC=C2)[NH+]3CCCC3)OC

InChI

InChI=1S/C18H24N2O4S2/c1-23-17-6-5-15(11-18(17)24-2)26(21,22)19-12-16(14-7-10-25-13-14)20-8-3-4-9-20/h5-7,10-11,13,16,19H,3-4,8-9,12H2,1-2H3/p+1/t16-/m1/s1