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

Systemtic Name: (4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (4-methyl-6-oxo-benzo[c]chromen-3-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (4-methyl-6-oxo-3-benzo[c][1]benzopyranyl) ester IUPAC Name: (4-methyl-6-oxobenzo[c]chromen-3-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (6-keto-4-methyl-benzo[c]chromen-3-yl) ester Formula: C30H25NO6S MolecularWeight: 527.5876

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=C(C4=C(C=C3)C5=CC=CC=C5C(=O)O4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=C(C4=C(C=C3)C5=CC=CC=C5C(=O)O4)C

InChI

InChI=1S/C30H25NO6S/c1-19-12-14-22(15-13-19)38(34,35)31-26(18-21-8-4-3-5-9-21)30(33)36-27-17-16-24-23-10-6-7-11-25(23)29(32)37-28(24)20(27)2/h3-17,26,31H,18H2,1-2H3