N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-15-5-10-18(13-19(15)23(24)25)29(26,27)21-14-20(22-11-3-4-12-22)16-6-8-17(28-2)9-7-16/h5-10,13,20-21H,3-4,11-12,14H2,1-2H3/p+1/t20-/m0/s1