4-(dipropylsulfamoyl)benzoic acid; N-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide

Systemtic Name: 4-(dipropylsulfamoyl)benzoic acid; N-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: 4-(dipropylsulfamoyl)benzoic acid; N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: 4-(dipropylsulfamoyl)benzoic acid; N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: 4-(dipropylsulfamoyl)benzoic acid; N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: 4-(dipropylsulfamoyl)benzoic acid; N-[(7S)-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C35H44N2O10S MolecularWeight: 684.79626

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

InChI

InChI=1S/C22H25NO6.C13H19NO4S/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16;1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24);5-8H,3-4,9-10H2,1-2H3,(H,15,16)/t16-;/m0./s1