N-[3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-4-methoxy-phenyl]ethanamide

Systemtic Name: N-[3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-4-methoxy-phenyl]ethanamide Openeye Name: N-[3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-4-methoxy-phenyl]acetamide CAS Name: N-[3-[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-4-methoxyphenyl]acetamide IUPAC Name: N-[3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-4-methoxyphenyl]acetamide Traditional Name: N-[3-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]sulfonyl-4-methoxy-phenyl]acetamide Formula: C20H25ClN3O4S+ MolecularWeight: 438.9482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O4S/c1-15(25)22-18-7-8-19(28-2)20(13-18)29(26,27)24-11-9-23(10-12-24)14-16-3-5-17(21)6-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1