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

Systemtic Name: 4-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C20H27N4O5S+ MolecularWeight: 435.51718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5S/c1-21-30(27,28)17-8-9-18(19(13-17)24(25)26)22-14-20(23-10-3-4-11-23)15-6-5-7-16(12-15)29-2/h5-9,12-13,20-22H,3-4,10-11,14H2,1-2H3/p+1/t20-/m0/s1