[2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxochromen-3-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(4-tert-butylphenyl)-4-keto-6,7-dimethyl-chromen-3-yl] ester Formula: C31H33NO6S MolecularWeight: 547.66182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(OC3=CC(=C(C=C3C2=O)C)C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(OC3=CC(=C(C=C3C2=O)C)C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H33NO6S/c1-19-7-13-24(14-8-19)39(35,36)32-16-15-27(33)38-30-28(34)25-17-20(2)21(3)18-26(25)37-29(30)22-9-11-23(12-10-22)31(4,5)6/h7-14,17-18,32H,15-16H2,1-6H3