2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[4-[(4-isopropylphenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[4-(4-isopropylbenzyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)acetamide Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H30N4O3S/c1-17(2)19-5-3-18(4-6-19)15-25-11-13-26(14-12-25)16-22(27)24-20-7-9-21(10-8-20)30(23,28)29/h3-10,17H,11-16H2,1-2H3,(H,24,27)(H2,23,28,29)/p+1