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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (6-chloro-2-oxo-4-phenyl-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-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-phenylchromen-7-yl) (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: (2S)-4-methyl-2-(tosylamino)valeric acid (6-chloro-2-keto-4-phenyl-chromen-7-yl) ester Formula: C28H26ClNO6S MolecularWeight: 540.02714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H26ClNO6S/c1-17(2)13-24(30-37(33,34)20-11-9-18(3)10-12-20)28(32)36-26-16-25-22(14-23(26)29)21(15-27(31)35-25)19-7-5-4-6-8-19/h4-12,14-17,24,30H,13H2,1-3H3/t24-/m0/s1