N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3,4-dimethylanilino)-oxomethyl]-2-(4-methylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-mesylpiperazin-1-ium-1-yl)acetamide Formula: C16H25N4O4S+ MolecularWeight: 369.4591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C)C

InChI

InChI=1S/C16H24N4O4S/c1-12-4-5-14(10-13(12)2)17-16(22)18-15(21)11-19-6-8-20(9-7-19)25(3,23)24/h4-5,10H,6-9,11H2,1-3H3,(H2,17,18,21,22)/p+1