N,4-dimethyl-N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: N,4-dimethyl-N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N,4-dimethyl-N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide CAS Name: N,4-dimethyl-N-[4-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N,4-dimethyl-N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: N,4-dimethyl-N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-22-8-14-26(15-9-22)35(32,33)28(2)24-12-10-23(11-13-24)27(31)30-18-16-29(17-19-30)20-21-34-25-6-4-3-5-7-25/h3-15H,16-21H2,1-2H3/p+1