(4-oxidanylidene-8-propyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: (4-oxidanylidene-8-propyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (4-oxo-8-propyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (4-oxo-8-propyl-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (4-oxo-8-propyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (4-keto-8-propyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C31H31NO6S MolecularWeight: 545.64594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C3=C(CCC3)C(=O)O2)OC(=O)C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C3=C(CCC3)C(=O)O2)OC(=O)C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H31NO6S/c1-3-8-22-18-26-24-11-7-12-25(24)30(33)38-29(26)19-28(22)37-31(34)27(17-21-9-5-4-6-10-21)32-39(35,36)23-15-13-20(2)14-16-23/h4-6,9-10,13-16,18-19,27,32H,3,7-8,11-12,17H2,1-2H3