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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(m-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-(3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-(m-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H23N4O4S+ MolecularWeight: 379.45392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C17H22N4O4S/c1-13-4-3-5-15(10-13)26(23,24)21-8-6-20(7-9-21)12-17(22)18-16-11-14(2)25-19-16/h3-5,10-11H,6-9,12H2,1-2H3,(H,18,19,22)/p+1