2-(chloromethyl)-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: 2-(chloromethyl)-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: 2-(chloromethyl)-5-(p-tolylsulfonylamino)benzofuran-3-carboxylate CAS Name: 2-(chloromethyl)-5-[(4-methylphenyl)sulfonylamino]-3-benzofurancarboxylate IUPAC Name: 2-(chloromethyl)-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-(chloromethyl)-5-(tosylamino)benzofuran-3-carboxylate Formula: C17H13ClNO5S- MolecularWeight: 378.80682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=C3C(=O)[O-])CCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=C3C(=O)[O-])CCl

InChI

InChI=1S/C17H14ClNO5S/c1-10-2-5-12(6-3-10)25(22,23)19-11-4-7-14-13(8-11)16(17(20)21)15(9-18)24-14/h2-8,19H,9H2,1H3,(H,20,21)/p-1