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

Systemtic Name: N-(4-ethoxyphenyl)-4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(4-ethoxyphenyl)-4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-(4-ethoxyphenyl)-4-[[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-carbonyl]-N-p-phenetyl-benzenesulfonamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](C[C@H]3C4=CC=CC=C4)C

InChI

InChI=1S/C26H29N3O4S/c1-3-33-23-13-11-22(12-14-23)27-34(31,32)24-15-9-21(10-16-24)26(30)29-18-17-28(2)19-25(29)20-7-5-4-6-8-20/h4-16,25,27H,3,17-19H2,1-2H3/p+1/t25-/m0/s1