(6-oxidanylidenebenzo[c]chromen-3-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: (6-oxidanylidenebenzo[c]chromen-3-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (6-oxobenzo[c]chromen-3-yl) 6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]hexanoic acid (6-oxo-3-benzo[c][1]benzopyranyl) ester IUPAC Name: (6-oxobenzo[c]chromen-3-yl) 6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(tosylamino)hexanoic acid (6-ketobenzo[c]chromen-3-yl) ester Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)OC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C26H25NO6S/c1-18-10-13-20(14-11-18)34(30,31)27-16-6-2-3-9-25(28)32-19-12-15-22-21-7-4-5-8-23(21)26(29)33-24(22)17-19/h4-5,7-8,10-15,17,27H,2-3,6,9,16H2,1H3