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

Systemtic Name: (4-methyl-2-oxidanylidene-3-propyl-chromen-7-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (4-methyl-2-oxo-3-propyl-chromen-7-yl) (2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (4-methyl-2-oxo-3-propyl-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxo-3-propylchromen-7-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(tosylamino)propionic acid (2-keto-4-methyl-3-propyl-chromen-7-yl) ester Formula: C29H29NO6S MolecularWeight: 519.60866

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C(C=C2)OC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C)OC1=O)C

Isomeric SMILES

CCCC1=C(C2=C(C=C(C=C2)OC(=O)[C@H](CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C)OC1=O)C

InChI

InChI=1S/C29H29NO6S/c1-4-8-25-20(3)24-16-13-22(18-27(24)36-28(25)31)35-29(32)26(17-21-9-6-5-7-10-21)30-37(33,34)23-14-11-19(2)12-15-23/h5-7,9-16,18,26,30H,4,8,17H2,1-3H3/t26-/m0/s1