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

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]propanoic acid [6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 2-(tosylamino)propionic acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C27H24ClNO6S MolecularWeight: 526.00056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=C(C=C3C(=C(C(=O)OC3=C2)CC4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=C(C=C3C(=C(C(=O)OC3=C2)CC4=CC=CC=C4)C)Cl

InChI

InChI=1S/C27H24ClNO6S/c1-16-9-11-20(12-10-16)36(32,33)29-18(3)26(30)35-25-15-24-21(14-23(25)28)17(2)22(27(31)34-24)13-19-7-5-4-6-8-19/h4-12,14-15,18,29H,13H2,1-3H3