1-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-4-mesitylsulfonyl-1,4-diazepane Formula: C27H33ClN4O2S MolecularWeight: 513.09452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)Cl)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)Cl)C)C)C

InChI

InChI=1S/C27H33ClN4O2S/c1-18-15-19(2)26(20(3)16-18)35(33,34)32-12-6-11-31(13-14-32)27-25(21(4)29-22(5)30-27)17-23-7-9-24(28)10-8-23/h7-10,15-16H,6,11-14,17H2,1-5H3