[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium

Systemtic Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium Openeye Name: [(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]-[(4-sulfamoylphenyl)methyl]ammonium CAS Name: [(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]ammonium IUPAC Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium Traditional Name: [(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-(4-sulfamoylbenzyl)ammonium Formula: C16H28N4O3S+2 MolecularWeight: 356.48352

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)[NH2+]CC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)[NH2+]CC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C16H26N4O3S/c1-3-19-8-10-20(11-9-19)16(21)13(2)18-12-14-4-6-15(7-5-14)24(17,22)23/h4-7,13,18H,3,8-12H2,1-2H3,(H2,17,22,23)/p+2/t13-/m0/s1