N-[[3-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide

Systemtic Name: N-[[3-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide Openeye Name: N-[[3-[2-(3-nitroanilino)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide CAS Name: N-[[3-[2-(3-nitroanilino)-4-pyrimidinyl]phenyl]methyl]methanesulfonamide IUPAC Name: N-[[3-[2-(3-nitroanilino)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide Traditional Name: N-[3-[2-(3-nitroanilino)pyrimidin-4-yl]benzyl]methanesulfonamide Formula: C18H17N5O4S MolecularWeight: 399.42368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=CC=CC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NCC1=CC=CC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4S/c1-28(26,27)20-12-13-4-2-5-14(10-13)17-8-9-19-18(22-17)21-15-6-3-7-16(11-15)23(24)25/h2-11,20H,12H2,1H3,(H,19,21,22)