(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C28H26ClNO6S MolecularWeight: 540.02714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H26ClNO6S/c1-3-7-20-15-27(31)35-25-17-26(23(29)16-22(20)25)36-28(32)24(14-19-8-5-4-6-9-19)30-37(33,34)21-12-10-18(2)11-13-21/h4-6,8-13,15-17,24,30H,3,7,14H2,1-2H3