2-[4-[[4-[(E)-2-[5-methylhexyl-(6-oxidanyl-6-oxidanylidene-hexyl)sulfamoyl]ethenyl]phenyl]carbamoyl]cyclohexen-1-yl]propanedioic acid

Systemtic Name: 2-[4-[[4-[(E)-2-[5-methylhexyl-(6-oxidanyl-6-oxidanylidene-hexyl)sulfamoyl]ethenyl]phenyl]carbamoyl]cyclohexen-1-yl]propanedioic acid Openeye Name: 2-[4-[[4-[(E)-2-[(6-hydroxy-6-oxo-hexyl)-(5-methylhexyl)sulfamoyl]vinyl]phenyl]carbamoyl]cyclohexen-1-yl]propanedioic acid CAS Name: 2-[4-[[4-[(E)-2-[(6-hydroxy-6-oxohexyl)-(5-methylhexyl)sulfamoyl]ethenyl]anilino]-oxomethyl]-1-cyclohexenyl]propanedioic acid IUPAC Name: 2-[4-[[4-[(E)-2-[(6-hydroxy-6-oxohexyl)-(5-methylhexyl)sulfamoyl]ethenyl]phenyl]carbamoyl]cyclohexen-1-yl]propanedioic acid Traditional Name: 2-[4-[[4-[(E)-2-[(6-hydroxy-6-keto-hexyl)-(5-methylhexyl)sulfamoyl]vinyl]phenyl]carbamoyl]cyclohexen-1-yl]malonic acid Formula: C31H44N2O9S MolecularWeight: 620.75406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCN(CCCCCC(=O)O)S(=O)(=O)C=CC1=CC=C(C=C1)NC(=O)C2CCC(=CC2)C(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCCCN(CCCCCC(=O)O)S(=O)(=O)/C=C/C1=CC=C(C=C1)NC(=O)C2CCC(=CC2)C(C(=O)O)C(=O)O

InChI

InChI=1S/C31H44N2O9S/c1-22(2)8-5-7-20-33(19-6-3-4-9-27(34)35)43(41,42)21-18-23-10-16-26(17-11-23)32-29(36)25-14-12-24(13-15-25)28(30(37)38)31(39)40/h10-12,16-18,21-22,25,28H,3-9,13-15,19-20H2,1-2H3,(H,32,36)(H,34,35)(H,37,38)(H,39,40)/b21-18+