2-[2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoylamino]ethanesulfonic acid

Systemtic Name: 2-[2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoylamino]ethanesulfonic acid Openeye Name: 2-[2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoylamino]ethanesulfonic acid CAS Name: 2-[[2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoylamino]ethanesulfonic acid Traditional Name: 2-[2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoylamino]ethanesulfonic acid Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C18H17ClN2O5S/c1-11(17(22)20-8-9-27(23,24)25)13-4-7-16-15(10-13)21-18(26-16)12-2-5-14(19)6-3-12/h2-7,10-11H,8-9H2,1H3,(H,20,22)(H,23,24,25)