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

Systemtic Name: N,N-diethyl-4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide Formula: C23H33N4O5S+ MolecularWeight: 477.59692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O5S/c1-4-26(5-2)33(30,31)20-12-13-21(22(16-20)27(28)29)24-17-23(25-14-6-7-15-25)18-8-10-19(32-3)11-9-18/h8-13,16,23-24H,4-7,14-15,17H2,1-3H3/p+1/t23-/m0/s1