4-[(E)-2-[2-[(4-piperidin-4-ylsulfonylphenyl)amino]pyrimidin-5-yl]ethenyl]benzene-1,2-diol

Systemtic Name: 4-[(E)-2-[2-[(4-piperidin-4-ylsulfonylphenyl)amino]pyrimidin-5-yl]ethenyl]benzene-1,2-diol Openeye Name: 4-[(E)-2-[2-[4-(4-piperidylsulfonyl)anilino]pyrimidin-5-yl]vinyl]benzene-1,2-diol CAS Name: 4-[(E)-2-[2-[4-(4-piperidinylsulfonyl)anilino]-5-pyrimidinyl]ethenyl]benzene-1,2-diol IUPAC Name: 4-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]benzene-1,2-diol Traditional Name: 4-[(E)-2-[2-[4-(4-piperidylsulfonyl)anilino]pyrimidin-5-yl]vinyl]pyrocatechol Formula: C23H24N4O4S MolecularWeight: 452.52606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O4S/c28-21-8-3-16(13-22(21)29)1-2-17-14-25-23(26-15-17)27-18-4-6-19(7-5-18)32(30,31)20-9-11-24-12-10-20/h1-8,13-15,20,24,28-29H,9-12H2,(H,25,26,27)/b2-1+