3-methyl-5-[phenethyl-(phenylmethyl)sulfamoyl]-1-benzofuran-2-carboxylate

Systemtic Name: 3-methyl-5-[phenethyl-(phenylmethyl)sulfamoyl]-1-benzofuran-2-carboxylate Openeye Name: 5-[benzyl(phenethyl)sulfamoyl]-3-methyl-benzofuran-2-carboxylate CAS Name: 3-methyl-5-[phenethyl-(phenylmethyl)sulfamoyl]-2-benzofurancarboxylate IUPAC Name: 5-[benzyl(phenethyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[benzyl(phenethyl)sulfamoyl]-3-methyl-coumarilate Formula: C25H22NO5S- MolecularWeight: 448.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C25H23NO5S/c1-18-22-16-21(12-13-23(22)31-24(18)25(27)28)32(29,30)26(17-20-10-6-3-7-11-20)15-14-19-8-4-2-5-9-19/h2-13,16H,14-15,17H2,1H3,(H,27,28)/p-1