2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-28-19-7-9-20(10-8-19)29(26,27)24-15-13-23(14-16-24)17-21(25)22-12-11-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25)/p+1