(3S)-N'-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1-methylsulfonyl-piperidine-3-carbohydrazide

Systemtic Name: (3S)-N'-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1-methylsulfonyl-piperidine-3-carbohydrazide Openeye Name: (3S)-N'-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-1-methylsulfonyl-piperidine-3-carbohydrazide CAS Name: (3S)-N'-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-1-methylsulfonyl-3-piperidinecarbohydrazide IUPAC Name: (3S)-N'-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1-methylsulfonylpiperidine-3-carbohydrazide Traditional Name: (3S)-N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-1-mesyl-nipecotohydrazide Formula: C14H18BrN3O4S MolecularWeight: 404.27942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NNC=C2C=C(C=CC2=O)Br

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NNC=C2C=C(C=CC2=O)Br

InChI

InChI=1S/C14H18BrN3O4S/c1-23(21,22)18-6-2-3-10(9-18)14(20)17-16-8-11-7-12(15)4-5-13(11)19/h4-5,7-8,10,16H,2-3,6,9H2,1H3,(H,17,20)/t10-/m0/s1