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

Systemtic Name: 2-[[4-[(4-hexylphenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-hexylbenzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(4-hexylphenyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4-hexylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(4-hexylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C21H26N2O5S/c1-2-3-4-5-6-16-7-9-17(10-8-16)21(26)23-18-11-13-19(14-12-18)29(27,28)22-15-20(24)25/h7-14,22H,2-6,15H2,1H3,(H,23,26)(H,24,25)