(6-oxidanylidenebenzo[c]chromen-3-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: (6-oxidanylidenebenzo[c]chromen-3-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (6-oxobenzo[c]chromen-3-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (6-oxo-3-benzo[c][1]benzopyranyl) ester IUPAC Name: (6-oxobenzo[c]chromen-3-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (6-ketobenzo[c]chromen-3-yl) ester Formula: C29H23NO6S MolecularWeight: 513.56102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C5=CC=CC=C5C(=O)O4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C29H23NO6S/c1-19-11-14-22(15-12-19)37(33,34)30-26(17-20-7-3-2-4-8-20)29(32)35-21-13-16-24-23-9-5-6-10-25(23)28(31)36-27(24)18-21/h2-16,18,26,30H,17H2,1H3