N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O4S/c1-3-17-4-6-18(7-5-17)22-21(25)16-23-12-14-24(15-13-23)29(26,27)20-10-8-19(28-2)9-11-20/h4-11H,3,12-16H2,1-2H3,(H,22,25)/p+1