2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]butanoate

Systemtic Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]butanoate Openeye Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]butanoate CAS Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]butanoate IUPAC Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfonyl]butanoate Traditional Name: 2-[3-(4-chlorophenyl)indoxazen-6-yl]sulfonylbutyrate Formula: C17H13ClNO5S- MolecularWeight: 378.80682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)C(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)C(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClNO5S/c1-2-15(17(20)21)25(22,23)12-7-8-13-14(9-12)24-19-16(13)10-3-5-11(18)6-4-10/h3-9,15H,2H2,1H3,(H,20,21)/p-1