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

Systemtic Name: 2-[3-[[(4-butylphenyl)methyl-(4-nitrophenyl)sulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-butylphenyl)methyl-(4-nitrophenyl)sulfonyl-amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-butylphenyl)methyl-(4-nitrophenyl)sulfonylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-butylphenyl)methyl-(4-nitrophenyl)sulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-butylbenzyl)-nosyl-amino]methyl]phenyl]acetic acid Formula: C26H28N2O6S MolecularWeight: 496.57532

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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)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H28N2O6S/c1-2-3-5-20-8-10-21(11-9-20)18-27(19-23-7-4-6-22(16-23)17-26(29)30)35(33,34)25-14-12-24(13-15-25)28(31)32/h4,6-16H,2-3,5,17-19H2,1H3,(H,29,30)