4-[2-cyclohexyl-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid

Systemtic Name: 4-[2-cyclohexyl-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-(2-cyclohexyl-1,3-dioxo-isoindolin-5-yl)sulfonylbenzoic acid CAS Name: 4-[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)sulfonyl]benzoic acid IUPAC Name: 4-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)sulfonylbenzoic acid Traditional Name: 4-(2-cyclohexyl-1,3-diketo-isoindolin-5-yl)sulfonylbenzoic acid Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H19NO6S/c23-19-17-11-10-16(29(27,28)15-8-6-13(7-9-15)21(25)26)12-18(17)20(24)22(19)14-4-2-1-3-5-14/h6-12,14H,1-5H2,(H,25,26)