4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide Openeye Name: 4-[[[4-(3-pyridyl)pyrimidin-2-yl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[4-(3-pyridinyl)-2-pyrimidinyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide Traditional Name: 4-[[[4-(3-pyridyl)pyrimidin-2-yl]amino]methyl]benzenesulfonamide Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=NC=C2)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=NC=C2)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H15N5O2S/c17-24(22,23)14-5-3-12(4-6-14)10-20-16-19-9-7-15(21-16)13-2-1-8-18-11-13/h1-9,11H,10H2,(H2,17,22,23)(H,19,20,21)