sodium 5-[3-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenethyl-pentanoate

Systemtic Name: sodium 5-[3-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenethyl-pentanoate Openeye Name: sodium 2-phenethyl-5-[3-(p-tolylsulfamoyl)phenyl]pentanoate CAS Name: sodium 5-[3-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenethylpentanoate IUPAC Name: sodium 5-[3-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenethylpentanoate Traditional Name: sodium 2-phenethyl-5-[3-(p-tolylsulfamoyl)phenyl]valerate Formula: C26H28NNaO4S MolecularWeight: 473.55959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)CCCC(CCC3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)CCCC(CCC3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C26H29NO4S.Na/c1-20-13-17-24(18-14-20)27-32(30,31)25-12-6-10-22(19-25)9-5-11-23(26(28)29)16-15-21-7-3-2-4-8-21;/h2-4,6-8,10,12-14,17-19,23,27H,5,9,11,15-16H2,1H3,(H,28,29);/q;+1/p-1