(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H21ClN2O7S MolecularWeight: 492.92934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(C)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)[C@H](C)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)Cl

InChI

InChI=1S/C22H21ClN2O7S/c1-12-8-20-18(10-19(12)23)15(9-21(27)32-20)11-31-22(28)13(2)25-33(29,30)17-6-4-16(5-7-17)24-14(3)26/h4-10,13,25H,11H2,1-3H3,(H,24,26)/t13-/m0/s1