4-[[4-chloranyl-2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrol-3-yl]amino]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[[4-chloranyl-2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrol-3-yl]amino]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[(1-benzyl-4-chloro-2,5-dioxo-pyrrol-3-yl)amino]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[[4-chloro-2,5-dioxo-1-(phenylmethyl)-3-pyrrolyl]amino]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[(1-benzyl-4-chloro-2,5-diketo-3-pyrrolin-3-yl)amino]-N-(2-pyrimidyl)benzenesulfonamide Formula: C21H16ClN5O4S MolecularWeight: 469.90084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H16ClN5O4S/c22-17-18(20(29)27(19(17)28)13-14-5-2-1-3-6-14)25-15-7-9-16(10-8-15)32(30,31)26-21-23-11-4-12-24-21/h1-12,25H,13H2,(H,23,24,26)