3-[[[3,4-bis(oxidanylidene)-2-[[(3Z)-4-oxidanylidene-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobuten-1-yl]amino]methyl]benzenesulfonamide

Systemtic Name: 3-[[[3,4-bis(oxidanylidene)-2-[[(3Z)-4-oxidanylidene-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobuten-1-yl]amino]methyl]benzenesulfonamide Openeye Name: 3-[[[3,4-dioxo-2-[[(3Z)-4-oxo-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobuten-1-yl]amino]methyl]benzenesulfonamide CAS Name: 3-[[[3,4-dioxo-2-[[(3Z)-4-oxo-3-(1H-pyrimidin-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-1-cyclobutenyl]amino]methyl]benzenesulfonamide IUPAC Name: 3-[[[3,4-dioxo-2-[[(3Z)-4-oxo-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobuten-1-yl]amino]methyl]benzenesulfonamide Traditional Name: 3-[[[3,4-diketo-2-[[(3Z)-4-keto-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobuten-1-yl]amino]methyl]benzenesulfonamide Formula: C21H17N5O5S MolecularWeight: 451.45518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)CNC2=C(C(=O)C2=O)NC3=CC(=C4NC=CC=N4)C(=O)C=C3

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)CNC2=C(C(=O)C2=O)NC3=C/C(=C/4\NC=CC=N4)/C(=O)C=C3

InChI

InChI=1S/C21H17N5O5S/c22-32(30,31)14-4-1-3-12(9-14)11-25-17-18(20(29)19(17)28)26-13-5-6-16(27)15(10-13)21-23-7-2-8-24-21/h1-10,23,25-26H,11H2,(H2,22,30,31)/b21-15-