[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl) 2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]propanoic acid [4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 2-(tosylamino)propionic acid (3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl) ester Formula: C28H27NO6S MolecularWeight: 505.58208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C28H27NO6S/c1-17-10-12-22(13-11-17)36(32,33)29-20(4)27(30)34-25-15-14-23-18(2)24(16-21-8-6-5-7-9-21)28(31)35-26(23)19(25)3/h5-15,20,29H,16H2,1-4H3