3-[[5-bromanyl-4-[(3-chloranyl-4-methoxy-phenyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[5-bromanyl-4-[(3-chloranyl-4-methoxy-phenyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-bromo-4-(3-chloro-4-methoxy-anilino)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[5-bromo-4-(3-chloro-4-methoxyanilino)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-bromo-4-(3-chloro-4-methoxyanilino)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[5-bromo-4-(3-chloro-4-methoxy-anilino)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C17H15BrClN5O3S MolecularWeight: 484.7547

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC(=CC=C3)S(=O)(=O)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC(=CC=C3)S(=O)(=O)N)Cl

InChI

InChI=1S/C17H15BrClN5O3S/c1-27-15-6-5-11(8-14(15)19)22-16-13(18)9-21-17(24-16)23-10-3-2-4-12(7-10)28(20,25)26/h2-9H,1H3,(H2,20,25,26)(H2,21,22,23,24)