2-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]hydrazinylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=NNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=NNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)C1)C

InChI

InChI=1S/C20H27N3O4S/c1-20(2)13-17(24)19(18(25)14-20)22-21-15-7-9-16(10-8-15)28(26,27)23-11-5-3-4-6-12-23/h7-10,21H,3-6,11-14H2,1-2H3