N-(5-chloranyl-2-methyl-phenyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C21H26ClN3O4S/c1-3-29-18-6-8-19(9-7-18)30(27,28)25-12-10-24(11-13-25)15-21(26)23-20-14-17(22)5-4-16(20)2/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)/p+1