N-[4-[(2S)-3-[4-(dimethylsulfamoyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanamide

Systemtic Name: N-[4-[(2S)-3-[4-(dimethylsulfamoyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2S)-3-[4-(dimethylsulfamoyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]phenyl]acetamide CAS Name: N-[4-[(2S)-3-[4-(dimethylsulfamoyl)-1-piperazin-1-iumyl]-2-hydroxypropoxy]phenyl]acetamide IUPAC Name: N-[4-[(2S)-3-[4-(dimethylsulfamoyl)piperazin-1-ium-1-yl]-2-hydroxypropoxy]phenyl]acetamide Traditional Name: N-[4-[(2S)-3-[4-(dimethylsulfamoyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]phenyl]acetamide Formula: C17H29N4O5S+ MolecularWeight: 401.50096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)S(=O)(=O)N(C)C)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)S(=O)(=O)N(C)C)O

InChI

InChI=1S/C17H28N4O5S/c1-14(22)18-15-4-6-17(7-5-15)26-13-16(23)12-20-8-10-21(11-9-20)27(24,25)19(2)3/h4-7,16,23H,8-13H2,1-3H3,(H,18,22)/p+1/t16-/m0/s1