4-[[(4-methylphenyl)sulfonyl-pyrimidin-2-yl-amino]methyl]-N-phenethyl-benzamide

Systemtic Name: 4-[[(4-methylphenyl)sulfonyl-pyrimidin-2-yl-amino]methyl]-N-phenethyl-benzamide Openeye Name: N-phenethyl-4-[[p-tolylsulfonyl(pyrimidin-2-yl)amino]methyl]benzamide CAS Name: 4-[[(4-methylphenyl)sulfonyl-(2-pyrimidinyl)amino]methyl]-N-phenethylbenzamide IUPAC Name: 4-[[(4-methylphenyl)sulfonyl-pyrimidin-2-ylamino]methyl]-N-phenethylbenzamide Traditional Name: N-phenethyl-4-[[2-pyrimidyl(tosyl)amino]methyl]benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C27H26N4O3S/c1-21-8-14-25(15-9-21)35(33,34)31(27-29-17-5-18-30-27)20-23-10-12-24(13-11-23)26(32)28-19-16-22-6-3-2-4-7-22/h2-15,17-18H,16,19-20H2,1H3,(H,28,32)