(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: (2S)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propionamide Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C19H24N4O4S/c1-14(19(25)21-15-2-8-18(9-3-15)28(20,26)27)22-10-12-23(13-11-22)16-4-6-17(24)7-5-16/h2-9,14,24H,10-13H2,1H3,(H,21,25)(H2,20,26,27)/p+1/t14-/m0/s1