[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 2-(p-tolylsulfonylamino)butanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]butanoic acid [6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 2-(tosylamino)butyric acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C28H26ClNO6S MolecularWeight: 540.02714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)Cl)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H26ClNO6S/c1-4-24(30-37(33,34)20-12-10-17(2)11-13-20)28(32)36-26-16-25-21(15-23(26)29)18(3)22(27(31)35-25)14-19-8-6-5-7-9-19/h5-13,15-16,24,30H,4,14H2,1-3H3