(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: (2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: (2S)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: (2S)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: (2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: (2S)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propionamide Formula: C21H27N4O5S2+ MolecularWeight: 479.59288

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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)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S2/c1-17(21(26)23-19-7-9-20(10-8-19)32(22,29)30)24-12-14-25(15-13-24)31(27,28)16-11-18-5-3-2-4-6-18/h2-11,16-17H,12-15H2,1H3,(H,23,26)(H2,22,29,30)/p+1/b16-11+/t17-/m0/s1