(6-oxidanylidenebenzo[c]chromen-3-yl) 4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: (6-oxidanylidenebenzo[c]chromen-3-yl) 4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: (6-oxobenzo[c]chromen-3-yl) 4-[(p-tolylsulfonylamino)methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid (6-oxo-3-benzo[c][1]benzopyranyl) ester IUPAC Name: (6-oxobenzo[c]chromen-3-yl) 4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[(tosylamino)methyl]cyclohexanecarboxylic acid (6-ketobenzo[c]chromen-3-yl) ester Formula: C28H27NO6S MolecularWeight: 505.58208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)OC3=CC4=C(C=C3)C5=CC=CC=C5C(=O)O4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)OC3=CC4=C(C=C3)C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C28H27NO6S/c1-18-6-13-22(14-7-18)36(32,33)29-17-19-8-10-20(11-9-19)27(30)34-21-12-15-24-23-4-2-3-5-25(23)28(31)35-26(24)16-21/h2-7,12-16,19-20,29H,8-11,17H2,1H3