2-[[4-[(4-heptylphenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(4-heptylphenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-heptylbenzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(4-heptylphenyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4-heptylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(4-heptylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C22H28N2O5S/c1-2-3-4-5-6-7-17-8-10-18(11-9-17)22(27)24-19-12-14-20(15-13-19)30(28,29)23-16-21(25)26/h8-15,23H,2-7,16H2,1H3,(H,24,27)(H,25,26)