(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-[butyl(phenyl)sulfamoyl]benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-[butyl(phenyl)sulfamoyl]benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-[butyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 3-[butyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C31H33NO6S MolecularWeight: 547.66182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

InChI

InChI=1S/C31H33NO6S/c1-5-6-15-32(25-12-8-7-9-13-25)39(35,36)26-14-10-11-23(17-26)31(34)37-20-24-18-30(33)38-29-16-22(4)27(21(2)3)19-28(24)29/h7-14,16-19,21H,5-6,15,20H2,1-4H3