N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(2-methylphenyl)ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(2-methylphenyl)ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(o-tolyl)acetamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(2-methylphenyl)acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(2-methylphenyl)acetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(o-tolyl)acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C21H27N3O3S/c1-3-23-12-14-24(15-13-23)28(26,27)20-10-8-19(9-11-20)22-21(25)16-18-7-5-4-6-17(18)2/h4-11H,3,12-16H2,1-2H3,(H,22,25)/p+1