2-[1-(ethoxyamino)propylidene]-5-[4-(3-methylsulfonylphenoxy)phenyl]cyclohexane-1,3-dione

Systemtic Name: 2-[1-(ethoxyamino)propylidene]-5-[4-(3-methylsulfonylphenoxy)phenyl]cyclohexane-1,3-dione Openeye Name: 2-[1-(ethoxyamino)propylidene]-5-[4-(3-methylsulfonylphenoxy)phenyl]cyclohexane-1,3-dione CAS Name: 2-[1-(ethoxyamino)propylidene]-5-[4-(3-methylsulfonylphenoxy)phenyl]cyclohexane-1,3-dione IUPAC Name: 2-[1-(ethoxyamino)propylidene]-5-[4-(3-methylsulfonylphenoxy)phenyl]cyclohexane-1,3-dione Traditional Name: 2-[1-(ethoxyamino)propylidene]-5-[4-(3-mesylphenoxy)phenyl]cyclohexane-1,3-quinone Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)OC3=CC(=CC=C3)S(=O)(=O)C)NOCC

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)OC3=CC(=CC=C3)S(=O)(=O)C)NOCC

InChI

InChI=1S/C24H27NO6S/c1-4-21(25-30-5-2)24-22(26)13-17(14-23(24)27)16-9-11-18(12-10-16)31-19-7-6-8-20(15-19)32(3,28)29/h6-12,15,17,25H,4-5,13-14H2,1-3H3