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

Systemtic Name: (4-oxidanylidene-8-propyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4-oxo-8-propyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic 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) 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (4-keto-8-propyl-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C3=C(CCC3)C(=O)O2)OC(=O)CCNS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C3=C(CCC3)C(=O)O2)OC(=O)CCNS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H27NO6S/c1-3-5-17-14-21-19-6-4-7-20(19)25(28)32-23(21)15-22(17)31-24(27)12-13-26-33(29,30)18-10-8-16(2)9-11-18/h8-11,14-15,26H,3-7,12-13H2,1-2H3