N'-[(Z)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-pyrrolidin-1-ylsulfonyl-benzohydrazide

Systemtic Name: N'-[(Z)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-pyrrolidin-1-ylsulfonyl-benzohydrazide Openeye Name: N'-[(Z)-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-pyrrolidin-1-ylsulfonyl-benzohydrazide CAS Name: N'-[(Z)-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-(1-pyrrolidinylsulfonyl)benzohydrazide IUPAC Name: N'-[(Z)-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide Traditional Name: N'-[(Z)-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-3-pyrrolidinosulfonyl-benzohydrazide Formula: C19H20BrN3O5S MolecularWeight: 482.3482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C=C(C1=O)Br

Isomeric SMILES

COC1=C/C(=C/NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)/C=C(C1=O)Br

InChI

InChI=1S/C19H20BrN3O5S/c1-28-17-10-13(9-16(20)18(17)24)12-21-22-19(25)14-5-4-6-15(11-14)29(26,27)23-7-2-3-8-23/h4-6,9-12,21H,2-3,7-8H2,1H3,(H,22,25)/b13-12+