3-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide

Systemtic Name: 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide Openeye Name: 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide CAS Name: 3-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-methoxyphenyl)propanamide IUPAC Name: 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide Traditional Name: 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propionamide Formula: C20H25ClN3O4S+ MolecularWeight: 438.9482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O4S/c1-28-18-6-4-17(5-7-18)22-20(25)10-11-23-12-14-24(15-13-23)29(26,27)19-8-2-16(21)3-9-19/h2-9H,10-15H2,1H3,(H,22,25)/p+1