(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

Systemtic Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Openeye Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide CAS Name: (2S)-2-(4-phenyl-1-piperazin-1-iumyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide IUPAC Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Traditional Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propionamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S/c1-17(24-13-15-25(16-14-24)19-5-3-2-4-6-19)21(26)23-12-11-18-7-9-20(10-8-18)29(22,27)28/h2-10,17H,11-16H2,1H3,(H,23,26)(H2,22,27,28)/p+1/t17-/m0/s1