(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H22ClNO6S MolecularWeight: 463.93118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClNO6S/c1-13(2)21(24-31(27,28)17-7-5-16(23)6-8-17)22(26)29-12-15-11-20(25)30-19-10-14(3)4-9-18(15)19/h4-11,13,21,24H,12H2,1-3H3