N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-15-12-18(24(25)26)13-21(16(15)2)30(27,28)22-14-20(23-10-4-5-11-23)17-6-8-19(29-3)9-7-17/h6-9,12-13,20,22H,4-5,10-11,14H2,1-3H3/p+1/t20-/m0/s1