(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H24ClNO7S MolecularWeight: 493.95716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C23H24ClNO7S/c1-15-11-21-19(13-20(15)24)16(12-23(27)32-21)14-31-22(26)5-4-10-25(2)33(28,29)18-8-6-17(30-3)7-9-18/h6-9,11-13H,4-5,10,14H2,1-3H3