2-[3-[[(4-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-butylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-butylphenyl)methyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-butylbenzyl)-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4S/c1-2-3-6-20-10-12-21(13-11-20)18-27(32(30,31)24-9-5-14-26-17-24)19-23-8-4-7-22(15-23)16-25(28)29/h4-5,7-15,17H,2-3,6,16,18-19H2,1H3,(H,28,29)