4-[(3-methyl-1-benzofuran-2-yl)carbonylamino]benzenesulfonic acid

Systemtic Name: 4-[(3-methyl-1-benzofuran-2-yl)carbonylamino]benzenesulfonic acid Openeye Name: 4-[(3-methylbenzofuran-2-carbonyl)amino]benzenesulfonic acid CAS Name: 4-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzenesulfonic acid Traditional Name: 4-[(3-methylbenzofuran-2-carbonyl)amino]besylic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H13NO5S/c1-10-13-4-2-3-5-14(13)22-15(10)16(18)17-11-6-8-12(9-7-11)23(19,20)21/h2-9H,1H3,(H,17,18)(H,19,20,21)