(6-oxidanylidenebenzo[c]chromen-3-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: (6-oxidanylidenebenzo[c]chromen-3-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (6-oxobenzo[c]chromen-3-yl) 3-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (6-oxo-3-benzo[c][1]benzopyranyl) ester IUPAC Name: (6-oxobenzo[c]chromen-3-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 3-methyl-2-(tosylamino)valeric acid (6-ketobenzo[c]chromen-3-yl) ester Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H25NO6S/c1-4-17(3)24(27-34(30,31)19-12-9-16(2)10-13-19)26(29)32-18-11-14-21-20-7-5-6-8-22(20)25(28)33-23(21)15-18/h5-15,17,24,27H,4H2,1-3H3