4-[(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)amino]benzamide

Systemtic Name: 4-[(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)amino]benzamide Openeye Name: 4-[(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,3-dimethyl-5-oxo-cyclohexylidene)amino]benzamide CAS Name: 4-[(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]benzamide IUPAC Name: 4-[(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]benzamide Traditional Name: 4-(brosylamino)-N-[(Z)-(5-keto-3,3-dimethyl-cyclohexylidene)amino]benzamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)CC(=O)C1)C

Isomeric SMILES

CC1(C/C(=N/NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)/CC(=O)C1)C

InChI

InChI=1S/C21H22BrN3O4S/c1-21(2)12-17(11-18(26)13-21)23-24-20(27)14-3-7-16(8-4-14)25-30(28,29)19-9-5-15(22)6-10-19/h3-10,25H,11-13H2,1-2H3,(H,24,27)/b23-17+