(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: (4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (4-butyl-7-methyl-2-oxo-chromen-5-yl) 3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl) ester IUPAC Name: (4-butyl-7-methyl-2-oxochromen-5-yl) 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-(tosylamino)propionic acid (4-butyl-2-keto-7-methyl-chromen-5-yl) ester Formula: C30H31NO6S MolecularWeight: 533.63524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H31NO6S/c1-4-5-11-23-19-28(32)36-26-16-21(3)17-27(29(23)26)37-30(33)25(18-22-9-7-6-8-10-22)31-38(34,35)24-14-12-20(2)13-15-24/h6-10,12-17,19,25,31H,4-5,11,18H2,1-3H3