(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide CAS Name: (2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Traditional Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propionamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N)C

InChI

InChI=1S/C21H28N4O3S/c1-15-6-4-9-20(16(15)2)25-12-10-24(11-13-25)17(3)21(26)23-18-7-5-8-19(14-18)29(22,27)28/h4-9,14,17H,10-13H2,1-3H3,(H,23,26)(H2,22,27,28)/p+1/t17-/m1/s1