N-[4-[(4-methyl-6-phenylazanyl-pyrimidin-2-yl)amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide

Systemtic Name: N-[4-[(4-methyl-6-phenylazanyl-pyrimidin-2-yl)amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide Openeye Name: N-[4-[(4-anilino-6-methyl-pyrimidin-2-yl)amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide CAS Name: N-[4-[(4-anilino-6-methyl-2-pyrimidinyl)amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide IUPAC Name: N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide Traditional Name: N-[4-[(4-anilino-6-methyl-pyrimidin-2-yl)amino]phenyl]acenaphthene-3-sulfonamide Formula: C29H25N5O2S MolecularWeight: 507.6061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=C4CCC5=CC=CC(=C54)C=C3)NC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=C4CCC5=CC=CC(=C54)C=C3)NC6=CC=CC=C6

InChI

InChI=1S/C29H25N5O2S/c1-19-18-27(31-22-8-3-2-4-9-22)33-29(30-19)32-23-12-14-24(15-13-23)34-37(35,36)26-17-11-21-7-5-6-20-10-16-25(26)28(20)21/h2-9,11-15,17-18,34H,10,16H2,1H3,(H2,30,31,32,33)