4-ethoxy-N-[4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[4-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 4-ethoxy-N-[4-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[4-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C27H31N3O4S/c1-3-34-25-12-14-26(15-13-25)35(32,33)28-24-10-8-22(9-11-24)27(31)30-18-16-29(17-19-30)20-23-7-5-4-6-21(23)2/h4-15,28H,3,16-20H2,1-2H3/p+1