2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-5-nitro-benzenesulfonamide

Systemtic Name: 2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-5-nitro-benzenesulfonamide Openeye Name: 2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-5-nitro-benzenesulfonamide CAS Name: 2-[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-5-nitrobenzenesulfonamide IUPAC Name: 2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-5-nitrobenzenesulfonamide Traditional Name: 2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-5-nitro-benzenesulfonamide Formula: C19H25N4O5S+ MolecularWeight: 421.4906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N)[NH+]3CCCC3

InChI

InChI=1S/C19H24N4O5S/c1-28-18-7-3-2-6-15(18)17(22-10-4-5-11-22)13-21-16-9-8-14(23(24)25)12-19(16)29(20,26)27/h2-3,6-9,12,17,21H,4-5,10-11,13H2,1H3,(H2,20,26,27)/p+1/t17-/m0/s1