5-[(E)-2-(2H-benzotriazol-5-yl)ethenyl]-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidin-2-amine

Systemtic Name: 5-[(E)-2-(2H-benzotriazol-5-yl)ethenyl]-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidin-2-amine Openeye Name: 5-[(E)-2-(2H-benzotriazol-5-yl)vinyl]-N-[4-(4-piperidylsulfonyl)phenyl]pyrimidin-2-amine CAS Name: 5-[(E)-2-(2H-benzotriazol-5-yl)ethenyl]-N-[4-(4-piperidinylsulfonyl)phenyl]-2-pyrimidinamine IUPAC Name: 5-[(E)-2-(2H-benzotriazol-5-yl)ethenyl]-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidin-2-amine Traditional Name: [5-[(E)-2-(2H-benzotriazol-5-yl)vinyl]pyrimidin-2-yl]-[4-(4-piperidylsulfonyl)phenyl]amine Formula: C23H23N7O2S MolecularWeight: 461.53942

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)C=CC4=CC5=NNN=C5C=C4

Isomeric SMILES

C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)/C=C/C4=CC5=NNN=C5C=C4

InChI

InChI=1S/C23H23N7O2S/c31-33(32,20-9-11-24-12-10-20)19-6-4-18(5-7-19)27-23-25-14-17(15-26-23)2-1-16-3-8-21-22(13-16)29-30-28-21/h1-8,13-15,20,24H,9-12H2,(H,25,26,27)(H,28,29,30)/b2-1+