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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-4-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=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

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