4-[[[1-[(3Z)-3-(3-bromanyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]piperidin-4-yl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[1-[(3Z)-3-(3-bromanyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]piperidin-4-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[1-[(3Z)-3-(3-bromo-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]-4-piperidyl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[1-[(3Z)-3-(3-bromo-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]-4-piperidinyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[1-[(3Z)-3-(3-bromo-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]piperidin-4-yl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[1-[(3Z)-3-(3-bromo-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-4-yl]-4-piperidyl]amino]methyl]benzenesulfonamide Formula: C21H24BrN5O4S MolecularWeight: 522.41536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CC=C(C=C2)S(=O)(=O)N)C3=CNNC3=C4C=C(C(=CC4=O)O)Br

Isomeric SMILES

C1CN(CCC1NCC2=CC=C(C=C2)S(=O)(=O)N)C\3=CNN/C3=C\4/C=C(C(=CC4=O)O)Br

InChI

InChI=1S/C21H24BrN5O4S/c22-17-9-16(19(28)10-20(17)29)21-18(12-25-26-21)27-7-5-14(6-8-27)24-11-13-1-3-15(4-2-13)32(23,30)31/h1-4,9-10,12,14,24-26,29H,5-8,11H2,(H2,23,30,31)/b21-16-