2-[(E)-1-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-6-oxidanyl-dec-3-en-5-yl]-7-sulfanylidene-6H-chromen-4-one; 2-sulfamoylbenzamide

Systemtic Name: 2-[(E)-1-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-6-oxidanyl-dec-3-en-5-yl]-7-sulfanylidene-6H-chromen-4-one; 2-sulfamoylbenzamide Openeye Name: 2-[1-[(E)-4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)but-1-enyl]-2-hydroxy-hexyl]-7-thioxo-6H-chromen-4-one; 2-sulfamoylbenzamide CAS Name: 2-[(E)-1-(4-acetyl-3-hydroxy-2-propylphenoxy)-6-hydroxydec-3-en-5-yl]-7-sulfanylidene-6H-1-benzopyran-4-one; 2-sulfamoylbenzamide IUPAC Name: 2-[(E)-1-(4-acetyl-3-hydroxy-2-propylphenoxy)-6-hydroxydec-3-en-5-yl]-7-sulfanylidene-6H-chromen-4-one; 2-sulfamoylbenzamide Traditional Name: 2-[(E)-5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-(1-hydroxypentyl)pent-2-enyl]-7-thioxo-6H-chromen-4-one; 2-sulfamoylbenzamide Formula: C37H44N2O9S2 MolecularWeight: 724.88326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C=CCCOC1=C(C(=C(C=C1)C(=O)C)O)CCC)C2=CC(=O)C3=CCC(=S)C=C3O2)O.C1=CC=C(C(=C1)C(=O)N)S(=O)(=O)N

Isomeric SMILES

CCCCC(C(/C=C/CCOC1=C(C(=C(C=C1)C(=O)C)O)CCC)C2=CC(=O)C3=CCC(=S)C=C3O2)O.C1=CC=C(C(=C1)C(=O)N)S(=O)(=O)N

InChI

InChI=1S/C30H36O6S.C7H8N2O3S/c1-4-6-11-25(32)22(29-18-26(33)23-13-12-20(37)17-28(23)36-29)10-7-8-16-35-27-15-14-21(19(3)31)30(34)24(27)9-5-2;8-7(10)5-3-1-2-4-6(5)13(9,11)12/h7,10,13-15,17-18,22,25,32,34H,4-6,8-9,11-12,16H2,1-3H3;1-4H,(H2,8,10)(H2,9,11,12)/b10-7+;