2-[(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)sulfonylamino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)sulfonylamino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(3-methyl-4-oxo-2-phenyl-chromen-8-yl)sulfonylamino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)sulfonylamino]ethyl ester IUPAC Name: 2-[(3-methyl-4-oxo-2-phenylchromen-8-yl)sulfonylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(4-keto-3-methyl-2-phenyl-chromen-8-yl)sulfonylamino]ethyl ester Formula: C25H23NO7S2 MolecularWeight: 513.58262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCNS(=O)(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCNS(=O)(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO7S2/c1-17-11-13-20(14-12-17)35(30,31)32-16-15-26-34(28,29)22-10-6-9-21-23(27)18(2)24(33-25(21)22)19-7-4-3-5-8-19/h3-14,26H,15-16H2,1-2H3