5-[(E)-2-(6-chloranyl-2H-benzotriazol-4-yl)ethenyl]-N-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine

Systemtic Name: 5-[(E)-2-(6-chloranyl-2H-benzotriazol-4-yl)ethenyl]-N-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine Openeye Name: 5-[(E)-2-(6-chloro-2H-benzotriazol-4-yl)vinyl]-N-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine CAS Name: 5-[(E)-2-(6-chloro-2H-benzotriazol-4-yl)ethenyl]-N-[4-(1-piperazinylsulfonyl)phenyl]-2-pyrimidinamine IUPAC Name: 5-[(E)-2-(6-chloro-2H-benzotriazol-4-yl)ethenyl]-N-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine Traditional Name: [5-[(E)-2-(6-chloro-2H-benzotriazol-4-yl)vinyl]pyrimidin-2-yl]-(4-piperazinosulfonylphenyl)amine Formula: C22H21ClN8O2S MolecularWeight: 496.97254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)C=CC4=CC(=CC5=NNN=C45)Cl

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)/C=C/C4=CC(=CC5=NNN=C45)Cl

InChI

InChI=1S/C22H21ClN8O2S/c23-17-11-16(21-20(12-17)28-30-29-21)2-1-15-13-25-22(26-14-15)27-18-3-5-19(6-4-18)34(32,33)31-9-7-24-8-10-31/h1-6,11-14,24H,7-10H2,(H,25,26,27)(H,28,29,30)/b2-1+