4-butoxy-N-[4-[(4-methyl-6-phenylazanyl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide

Systemtic Name: 4-butoxy-N-[4-[(4-methyl-6-phenylazanyl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Openeye Name: N-[4-[(4-anilino-6-methyl-pyrimidin-2-yl)amino]phenyl]-4-butoxy-benzenesulfonamide CAS Name: N-[4-[(4-anilino-6-methyl-2-pyrimidinyl)amino]phenyl]-4-butoxybenzenesulfonamide IUPAC Name: N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-4-butoxybenzenesulfonamide Traditional Name: N-[4-[(4-anilino-6-methyl-pyrimidin-2-yl)amino]phenyl]-4-butoxy-benzenesulfonamide Formula: C27H29N5O3S MolecularWeight: 503.61586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)NC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)NC4=CC=CC=C4)C

InChI

InChI=1S/C27H29N5O3S/c1-3-4-18-35-24-14-16-25(17-15-24)36(33,34)32-23-12-10-22(11-13-23)30-27-28-20(2)19-26(31-27)29-21-8-6-5-7-9-21/h5-17,19,32H,3-4,18H2,1-2H3,(H2,28,29,30,31)