[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: [4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] 6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(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) 6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(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:

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

InChI

InChI=1S/C31H33NO6S/c1-21-13-15-25(16-14-21)39(35,36)32-17-9-5-8-12-29(33)37-27-18-22(2)19-28-30(27)23(3)26(31(34)38-28)20-24-10-6-4-7-11-24/h4,6-7,10-11,13-16,18-19,32H,5,8-9,12,17,20H2,1-3H3