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

Systemtic Name: 2-[3-[[(4-butylphenyl)methyl-(4-cyanophenyl)sulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-butylphenyl)methyl-(4-cyanophenyl)sulfonyl-amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-butylphenyl)methyl-(4-cyanophenyl)sulfonylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-butylphenyl)methyl-(4-cyanophenyl)sulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-butylbenzyl)-(4-cyanophenyl)sulfonyl-amino]methyl]phenyl]acetic acid Formula: C27H28N2O4S MolecularWeight: 476.58722

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4S/c1-2-3-5-21-8-10-23(11-9-21)19-29(20-25-7-4-6-24(16-25)17-27(30)31)34(32,33)26-14-12-22(18-28)13-15-26/h4,6-16H,2-3,5,17,19-20H2,1H3,(H,30,31)