N-[4-(4-piperidin-1-ylsulfonylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine

Systemtic Name: N-[4-(4-piperidin-1-ylsulfonylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine Openeye Name: N-[4-[4-(1-piperidylsulfonyl)phenyl]pyrimidin-2-yl]-1,3-benzothiazol-6-amine CAS Name: N-[4-[4-(1-piperidinylsulfonyl)phenyl]-2-pyrimidinyl]-1,3-benzothiazol-6-amine IUPAC Name: N-[4-(4-piperidin-1-ylsulfonylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine Traditional Name: 1,3-benzothiazol-6-yl-[4-(4-piperidinosulfonylphenyl)pyrimidin-2-yl]amine Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C22H21N5O2S2/c28-31(29,27-12-2-1-3-13-27)18-7-4-16(5-8-18)19-10-11-23-22(26-19)25-17-6-9-20-21(14-17)30-15-24-20/h4-11,14-15H,1-3,12-13H2,(H,23,25,26)