2-[[4-[3-(4-chlorophenyl)prop-2-ynoxy]phenyl]sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[3-(4-chlorophenyl)prop-2-ynoxy]phenyl]sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[3-(4-chlorophenyl)prop-2-ynoxy]phenyl]sulfonyl-methyl-amino]acetic acid CAS Name: 2-[[4-[3-(4-chlorophenyl)prop-2-ynoxy]phenyl]sulfonyl-methylamino]acetic acid IUPAC Name: 2-[[4-[3-(4-chlorophenyl)prop-2-ynoxy]phenyl]sulfonyl-methylamino]acetic acid Traditional Name: 2-[[4-[3-(4-chlorophenyl)prop-2-ynoxy]phenyl]sulfonyl-methyl-amino]acetic acid Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)OCC#CC2=CC=C(C=C2)Cl

Isomeric SMILES

CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)OCC#CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H16ClNO5S/c1-20(13-18(21)22)26(23,24)17-10-8-16(9-11-17)25-12-2-3-14-4-6-15(19)7-5-14/h4-11H,12-13H2,1H3,(H,21,22)