2-[3-[[(4-butylphenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-butylphenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-butylphenyl)methyl-(p-tolylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-butylphenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-butylphenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-butylbenzyl)-tosyl-amino]methyl]phenyl]acetic acid Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H31NO4S/c1-3-4-6-22-11-13-23(14-12-22)19-28(33(31,32)26-15-9-21(2)10-16-26)20-25-8-5-7-24(17-25)18-27(29)30/h5,7-17H,3-4,6,18-20H2,1-2H3,(H,29,30)