[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 2-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]hexanoic acid [6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-(tosylamino)hexanoic acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C30H30ClNO6S MolecularWeight: 568.0803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC(C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H30ClNO6S/c1-4-5-11-26(32-39(35,36)22-14-12-19(2)13-15-22)30(34)38-28-18-27-23(17-25(28)31)20(3)24(29(33)37-27)16-21-9-7-6-8-10-21/h6-10,12-15,17-18,26,32H,4-5,11,16H2,1-3H3