N-[4-[[4-[(4-methoxyphenyl)amino]-6-methyl-pyrimidin-2-yl]amino]phenyl]naphthalene-2-sulfonamide

Systemtic Name: N-[4-[[4-[(4-methoxyphenyl)amino]-6-methyl-pyrimidin-2-yl]amino]phenyl]naphthalene-2-sulfonamide Openeye Name: N-[4-[[4-(4-methoxyanilino)-6-methyl-pyrimidin-2-yl]amino]phenyl]naphthalene-2-sulfonamide CAS Name: N-[4-[[4-(4-methoxyanilino)-6-methyl-2-pyrimidinyl]amino]phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]naphthalene-2-sulfonamide Traditional Name: N-[4-[[4-methyl-6-(p-anisidino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-sulfonamide Formula: C28H25N5O3S MolecularWeight: 511.5948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)NC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)NC5=CC=C(C=C5)OC

InChI

InChI=1S/C28H25N5O3S/c1-19-17-27(30-22-12-14-25(36-2)15-13-22)32-28(29-19)31-23-8-10-24(11-9-23)33-37(34,35)26-16-7-20-5-3-4-6-21(20)18-26/h3-18,33H,1-2H3,(H2,29,30,31,32)