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

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (4-butyl-6-chloro-2-keto-chromen-7-yl) ester Formula: C29H28ClNO6S MolecularWeight: 554.05372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C29H28ClNO6S/c1-3-4-10-21-16-28(32)36-26-18-27(24(30)17-23(21)26)37-29(33)25(15-20-8-6-5-7-9-20)31-38(34,35)22-13-11-19(2)12-14-22/h5-9,11-14,16-18,25,31H,3-4,10,15H2,1-2H3