(2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 4-(acetamidomethyl)benzenesulfonate

Systemtic Name: (2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 4-(acetamidomethyl)benzenesulfonate Openeye Name: (4-isopropyl-2-oxo-chromen-7-yl) 4-(acetamidomethyl)benzenesulfonate CAS Name: 4-(acetamidomethyl)benzenesulfonic acid (2-oxo-4-propan-2-yl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propan-2-ylchromen-7-yl) 4-(acetamidomethyl)benzenesulfonate Traditional Name: 4-(acetamidomethyl)benzenesulfonic acid (4-isopropyl-2-keto-chromen-7-yl) ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)CNC(=O)C

Isomeric SMILES

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)CNC(=O)C

InChI

InChI=1S/C21H21NO6S/c1-13(2)19-11-21(24)27-20-10-16(6-9-18(19)20)28-29(25,26)17-7-4-15(5-8-17)12-22-14(3)23/h4-11,13H,12H2,1-3H3,(H,22,23)