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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H26N4O5S/c1-22-11-13-23(14-12-22)20(16-3-7-18(29-2)8-4-16)15-21-30(27,28)19-9-5-17(6-10-19)24(25)26/h3-10,20-21H,11-15H2,1-2H3/p+1/t20-/m0/s1