N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-17(24)21-18-7-9-20(10-8-18)28(25,26)23-13-11-22(12-14-23)15-16-27-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,21,24)/p+1