2-(5-chloranyl-1,3-benzoxazol-2-yl)-3-[[4-(2-hydroxyethylsulfonyl)phenyl]amino]prop-2-enal

Systemtic Name: 2-(5-chloranyl-1,3-benzoxazol-2-yl)-3-[[4-(2-hydroxyethylsulfonyl)phenyl]amino]prop-2-enal Openeye Name: 2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethylsulfonyl)anilino]prop-2-enal CAS Name: 2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethylsulfonyl)anilino]-2-propenal IUPAC Name: 2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethylsulfonyl)anilino]prop-2-enal Traditional Name: 2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethylsulfonyl)anilino]acrolein Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC=C(C=O)C2=NC3=C(O2)C=CC(=C3)Cl)S(=O)(=O)CCO

Isomeric SMILES

C1=CC(=CC=C1NC=C(C=O)C2=NC3=C(O2)C=CC(=C3)Cl)S(=O)(=O)CCO

InChI

InChI=1S/C18H15ClN2O5S/c19-13-1-6-17-16(9-13)21-18(26-17)12(11-23)10-20-14-2-4-15(5-3-14)27(24,25)8-7-22/h1-6,9-11,20,22H,7-8H2