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

Systemtic Name: [4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl) 3-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid [4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 3-methyl-2-(tosylamino)valeric acid (3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl) ester Formula: C31H33NO6S MolecularWeight: 547.66182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=C(C2=C(C=C1)C(=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=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

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