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

Systemtic Name: (2S)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: (2S)-2-(4-benzylpiperazin-1-ium-1-yl)-N-(3-sulfamoylphenyl)propanamide CAS Name: (2S)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: (2S)-2-(4-benzylpiperazin-1-ium-1-yl)-N-(3-sulfamoylphenyl)propanamide Traditional Name: (2S)-2-(4-benzylpiperazin-1-ium-1-yl)-N-(3-sulfamoylphenyl)propionamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c1-16(20(25)22-18-8-5-9-19(14-18)28(21,26)27)24-12-10-23(11-13-24)15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3,(H,22,25)(H2,21,26,27)/p+1/t16-/m0/s1