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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H22ClNO7S MolecularWeight: 479.93058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClNO7S/c1-13(2)21(24-32(27,28)17-7-4-15(23)5-8-17)22(26)30-12-14-10-20(25)31-19-11-16(29-3)6-9-18(14)19/h4-11,13,21,24H,12H2,1-3H3/t21-/m0/s1