4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(isopropylamino)-2-oxo-ethyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-sulfamoylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(isopropylamino)-2-keto-ethyl]-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carboxamide Formula: C16H26N5O4S+ MolecularWeight: 384.47374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C16H25N5O4S/c1-12(2)18-15(22)11-20-7-9-21(10-8-20)16(23)19-13-3-5-14(6-4-13)26(17,24)25/h3-6,12H,7-11H2,1-2H3,(H,18,22)(H,19,23)(H2,17,24,25)/p+1