N-(4-iodophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-iodophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-iodophenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-iodophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-iodophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-iodophenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C19H23IN3O3S+ MolecularWeight: 500.37369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C19H22IN3O3S/c1-15-2-8-18(9-3-15)27(25,26)23-12-10-22(11-13-23)14-19(24)21-17-6-4-16(20)5-7-17/h2-9H,10-14H2,1H3,(H,21,24)/p+1