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

Systemtic Name: 2-[[4-[(4-hexoxyphenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-hexoxybenzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(4-hexoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4-hexoxybenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(4-hexoxybenzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C21H26N2O6S/c1-2-3-4-5-14-29-18-10-6-16(7-11-18)21(26)23-17-8-12-19(13-9-17)30(27,28)22-15-20(24)25/h6-13,22H,2-5,14-15H2,1H3,(H,23,26)(H,24,25)