(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) (2S)-4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: (2S)-4-methyl-2-(tosylamino)valeric acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C25H28ClNO6S MolecularWeight: 506.01092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](CC(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H28ClNO6S/c1-5-6-17-12-24(28)32-22-14-23(20(26)13-19(17)22)33-25(29)21(11-15(2)3)27-34(30,31)18-9-7-16(4)8-10-18/h7-10,12-15,21,27H,5-6,11H2,1-4H3/t21-/m0/s1