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

Systemtic Name: (2R)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: (2R)-2-[4-[(4-isopropylphenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: (2R)-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: (2R)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: (2R)-2-[4-(4-isopropylbenzyl)piperazin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propionamide Formula: C23H33N4O3S+ MolecularWeight: 445.59812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+]2CCN(CC2)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H32N4O3S/c1-17(2)20-6-4-19(5-7-20)16-26-12-14-27(15-13-26)18(3)23(28)25-21-8-10-22(11-9-21)31(24,29)30/h4-11,17-18H,12-16H2,1-3H3,(H,25,28)(H2,24,29,30)/p+1/t18-/m1/s1