N-(2-methylphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methylphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-methylphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(4-mesylpiperazin-1-ium-1-yl)-N-(o-tolyl)acetamide Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H21N3O3S/c1-12-5-3-4-6-13(12)15-14(18)11-16-7-9-17(10-8-16)21(2,19)20/h3-6H,7-11H2,1-2H3,(H,15,18)/p+1