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

Systemtic Name: [4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (3-benzyl-4-methyl-2-oxo-chromen-7-yl) 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4-methyl-2-oxochromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (3-benzyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H25NO6S/c1-18-8-11-22(12-9-18)35(31,32)28-15-14-26(29)33-21-10-13-23-19(2)24(27(30)34-25(23)17-21)16-20-6-4-3-5-7-20/h3-13,17,28H,14-16H2,1-2H3