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

Systemtic Name: [4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 2-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]hexanoic acid [4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl] ester IUPAC Name: (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-(tosylamino)hexanoic 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:

CCCCC(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

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