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

Systemtic Name: N-[4-[[4-[(4-methoxyphenyl)amino]-6-methyl-pyrimidin-2-yl]amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide Openeye Name: N-[4-[[4-(4-methoxyanilino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide CAS Name: N-[4-[[4-(4-methoxyanilino)-6-methyl-2-pyrimidinyl]amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide IUPAC Name: N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide Traditional Name: N-[4-[[4-methyl-6-(p-anisidino)pyrimidin-2-yl]amino]phenyl]acenaphthene-3-sulfonamide Formula: C30H27N5O3S MolecularWeight: 537.63208

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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=C(C=C6)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H27N5O3S/c1-19-18-28(32-22-12-14-25(38-2)15-13-22)34-30(31-19)33-23-8-10-24(11-9-23)35-39(36,37)27-17-7-21-5-3-4-20-6-16-26(27)29(20)21/h3-5,7-15,17-18,35H,6,16H2,1-2H3,(H2,31,32,33,34)