(2S)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: (2S)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide CAS Name: (2S)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: (2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Traditional Name: (2S)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propionamide Formula: C20H26ClN4O3S+ MolecularWeight: 437.96344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O3S/c1-14-6-7-16(21)12-19(14)25-10-8-24(9-11-25)15(2)20(26)23-17-4-3-5-18(13-17)29(22,27)28/h3-7,12-13,15H,8-11H2,1-2H3,(H,23,26)(H2,22,27,28)/p+1/t15-/m0/s1