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

Systemtic Name: [4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 4-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) 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 4-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:

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

InChI

InChI=1S/C31H33NO6S/c1-19(2)15-26(32-39(35,36)24-13-11-20(3)12-14-24)31(34)38-28-17-21(4)16-27-29(28)22(5)25(30(33)37-27)18-23-9-7-6-8-10-23/h6-14,16-17,19,26,32H,15,18H2,1-5H3