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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (6-chloro-2-oxo-4-phenyl-chromen-7-yl) 6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]hexanoic acid (6-chloro-2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-phenylchromen-7-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(tosylamino)hexanoic acid (6-chloro-2-keto-4-phenyl-chromen-7-yl) ester Formula: C28H26ClNO6S MolecularWeight: 540.02714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H26ClNO6S/c1-19-11-13-21(14-12-19)37(33,34)30-15-7-3-6-10-27(31)36-26-18-25-23(16-24(26)29)22(17-28(32)35-25)20-8-4-2-5-9-20/h2,4-5,8-9,11-14,16-18,30H,3,6-7,10,15H2,1H3