N-[4-[4-(3-chlorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide chloride

Systemtic Name: N-[4-[4-(3-chlorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide chloride Openeye Name: N-[4-[4-(3-chlorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide chloride CAS Name: N-[4-[[4-(3-chlorophenyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide chloride IUPAC Name: N-[4-[4-(3-chlorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide chloride Traditional Name: N-[4-[4-(3-chlorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide chloride Formula: C18H21Cl2N3O3S MolecularWeight: 430.34864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3S.ClH/c1-14(23)20-16-5-7-18(8-6-16)26(24,25)22-11-9-21(10-12-22)17-4-2-3-15(19)13-17;/h2-8,13H,9-12H2,1H3,(H,20,23);1H