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

Systemtic Name: [4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 3-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic 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-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 3-methyl-2-(tosylamino)valeric acid (3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl) ester Formula: C31H33NO6S MolecularWeight: 547.66182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC(=CC2=C1C(=C(C(=O)O2)CC3=CC=CC=C3)C)C)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C)C(C(=O)OC1=CC(=CC2=C1C(=C(C(=O)O2)CC3=CC=CC=C3)C)C)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

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