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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CCC)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](CCC)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H28ClNO6S/c1-4-6-8-17-13-24(28)32-22-15-23(20(26)14-19(17)22)33-25(29)21(7-5-2)27-34(30,31)18-11-9-16(3)10-12-18/h9-15,21,27H,4-8H2,1-3H3/t21-/m0/s1