5-[2-[(4-chlorophenyl)sulfonyl-(phenylmethyl)amino]ethyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[2-[(4-chlorophenyl)sulfonyl-(phenylmethyl)amino]ethyl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[2-[benzyl-(4-chlorophenyl)sulfonyl-amino]ethyl]benzofuran-2-carboxylic acid CAS Name: 5-[2-[(4-chlorophenyl)sulfonyl-(phenylmethyl)amino]ethyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[2-[benzyl-(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[2-[benzyl-(4-chlorophenyl)sulfonyl-amino]ethyl]coumarilic acid Formula: C24H20ClNO5S MolecularWeight: 469.9373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC2=CC3=C(C=C2)OC(=C3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC2=CC3=C(C=C2)OC(=C3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H20ClNO5S/c25-20-7-9-21(10-8-20)32(29,30)26(16-18-4-2-1-3-5-18)13-12-17-6-11-22-19(14-17)15-23(31-22)24(27)28/h1-11,14-15H,12-13,16H2,(H,27,28)