2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N'-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N'-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N'-[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N'-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]acetohydrazide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N'-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N'-[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Formula: C20H24BrN4O5S+ MolecularWeight: 512.39736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)C=CC1=O

Isomeric SMILES

COC1=CC(=CNNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)C=CC1=O

InChI

InChI=1S/C20H23BrN4O5S/c1-30-19-12-15(2-7-18(19)26)13-22-23-20(27)14-24-8-10-25(11-9-24)31(28,29)17-5-3-16(21)4-6-17/h2-7,12-13,22H,8-11,14H2,1H3,(H,23,27)/p+1