2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C16H20ClN4O4S+ MolecularWeight: 399.8724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4O4S/c1-12-10-15(19-25-12)18-16(22)11-20-6-8-21(9-7-20)26(23,24)14-4-2-13(17)3-5-14/h2-5,10H,6-9,11H2,1H3,(H,18,19,22)/p+1