4-[[(2Z)-2-(4-methylphenyl)sulfonyliminopyrimidin-1-yl]methyl]-N-phenethyl-benzamide

Systemtic Name: 4-[[(2Z)-2-(4-methylphenyl)sulfonyliminopyrimidin-1-yl]methyl]-N-phenethyl-benzamide Openeye Name: N-phenethyl-4-[[(2Z)-2-(p-tolylsulfonylimino)pyrimidin-1-yl]methyl]benzamide CAS Name: 4-[[(2Z)-2-(4-methylphenyl)sulfonylimino-1-pyrimidinyl]methyl]-N-phenethylbenzamide IUPAC Name: 4-[[(2Z)-2-(4-methylphenyl)sulfonyliminopyrimidin-1-yl]methyl]-N-phenethylbenzamide Traditional Name: N-phenethyl-4-[[(2Z)-2-tosyliminopyrimidin-1-yl]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=C2N=CC=CN2CC3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\N=CC=CN2CC3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3S/c1-21-8-14-25(15-9-21)35(33,34)30-27-29-17-5-19-31(27)20-23-10-12-24(13-11-23)26(32)28-18-16-22-6-3-2-4-7-22/h2-15,17,19H,16,18,20H2,1H3,(H,28,32)/b30-27+