1-[4-[[5-[(E)-2-(2-azanyl-1,3-benzothiazol-6-yl)ethenyl]pyrimidin-2-yl]amino]phenyl]sulfonylpiperidin-3-ol

Systemtic Name: 1-[4-[[5-[(E)-2-(2-azanyl-1,3-benzothiazol-6-yl)ethenyl]pyrimidin-2-yl]amino]phenyl]sulfonylpiperidin-3-ol Openeye Name: 1-[4-[[5-[(E)-2-(2-amino-1,3-benzothiazol-6-yl)vinyl]pyrimidin-2-yl]amino]phenyl]sulfonylpiperidin-3-ol CAS Name: 1-[4-[[5-[(E)-2-(2-amino-1,3-benzothiazol-6-yl)ethenyl]-2-pyrimidinyl]amino]phenyl]sulfonyl-3-piperidinol IUPAC Name: 1-[4-[[5-[(E)-2-(2-amino-1,3-benzothiazol-6-yl)ethenyl]pyrimidin-2-yl]amino]phenyl]sulfonylpiperidin-3-ol Traditional Name: 1-[4-[[5-[(E)-2-(2-amino-1,3-benzothiazol-6-yl)vinyl]pyrimidin-2-yl]amino]phenyl]sulfonylpiperidin-3-ol Formula: C24H24N6O3S2 MolecularWeight: 508.61576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)C=CC4=CC5=C(C=C4)N=C(S5)N)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)/C=C/C4=CC5=C(C=C4)N=C(S5)N)O

InChI

InChI=1S/C24H24N6O3S2/c25-23-29-21-10-5-16(12-22(21)34-23)3-4-17-13-26-24(27-14-17)28-18-6-8-20(9-7-18)35(32,33)30-11-1-2-19(31)15-30/h3-10,12-14,19,31H,1-2,11,15H2,(H2,25,29)(H,26,27,28)/b4-3+