2-[[4-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[4-(4-chloro-3-methylphenoxy)butanoylamino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]phenyl]sulfonylamino]acetic acid Formula: C19H21ClN2O6S MolecularWeight: 440.89784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)Cl

InChI

InChI=1S/C19H21ClN2O6S/c1-13-11-15(6-9-17(13)20)28-10-2-3-18(23)22-14-4-7-16(8-5-14)29(26,27)21-12-19(24)25/h4-9,11,21H,2-3,10,12H2,1H3,(H,22,23)(H,24,25)