[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl] ester IUPAC Name: (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (3-benzyl-2-keto-4,7-dimethyl-chromen-5-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)NCCC(=O)OC2=CC(=CC3=C2C(=C(C(=O)O3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC(=CC3=C2C(=C(C(=O)O3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C28H27NO6S/c1-18-9-11-22(12-10-18)36(32,33)29-14-13-26(30)34-24-15-19(2)16-25-27(24)20(3)23(28(31)35-25)17-21-7-5-4-6-8-21/h4-12,15-16,29H,13-14,17H2,1-3H3