(6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (6-chloro-2-oxo-4-phenyl-chromen-7-yl) 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (6-chloro-2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-phenylchromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (6-chloro-2-keto-4-phenyl-chromen-7-yl) ester Formula: C25H20ClNO6S MolecularWeight: 497.9474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H20ClNO6S/c1-16-7-9-18(10-8-16)34(30,31)27-12-11-24(28)33-23-15-22-20(13-21(23)26)19(14-25(29)32-22)17-5-3-2-4-6-17/h2-10,13-15,27H,11-12H2,1H3