(2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: (2S)-2-[4-(4-methylthiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: (2S)-2-[4-(4-methyl-2-thiazolyl)-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: (2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: (2S)-2-[4-(4-methylthiazol-2-yl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propionamide Formula: C17H24N5O3S2+ MolecularWeight: 410.53416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CSC(=N1)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H23N5O3S2/c1-12-11-26-17(19-12)22-9-7-21(8-10-22)13(2)16(23)20-14-3-5-15(6-4-14)27(18,24)25/h3-6,11,13H,7-10H2,1-2H3,(H,20,23)(H2,18,24,25)/p+1/t13-/m0/s1