N-(2-methoxyethyl)-4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-methoxyethyl)-4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-methoxyethyl)-4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-(2-methoxyethyl)-4-[[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-methoxyethyl)-4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-methoxyethyl)-4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCOC

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCOC

InChI

InChI=1S/C21H27N3O4S/c1-23-13-14-24(20(16-23)17-6-4-3-5-7-17)21(25)18-8-10-19(11-9-18)29(26,27)22-12-15-28-2/h3-11,20,22H,12-16H2,1-2H3/p+1/t20-/m0/s1