4-[[4-[5-[(pyridin-3-ylmethylamino)methyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[5-[(pyridin-3-ylmethylamino)methyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[5-[(3-pyridylmethylamino)methyl]-2-thienyl]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[5-[(3-pyridinylmethylamino)methyl]-2-thiophenyl]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-[5-[(pyridin-3-ylmethylamino)methyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[5-[(3-pyridylmethylamino)methyl]-2-thienyl]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C21H20N6O2S2 MolecularWeight: 452.5525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNCC2=CC=C(S2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CN=C1)CNCC2=CC=C(S2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H20N6O2S2/c22-31(28,29)18-6-3-16(4-7-18)26-21-25-11-9-19(27-21)20-8-5-17(30-20)14-24-13-15-2-1-10-23-12-15/h1-12,24H,13-14H2,(H2,22,28,29)(H,25,26,27)