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

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane Formula: C26H31ClN4O2S MolecularWeight: 499.06794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)C

InChI

InChI=1S/C26H31ClN4O2S/c1-4-25-24(18-21-8-6-19(2)7-9-21)26(29-20(3)28-25)30-14-5-15-31(17-16-30)34(32,33)23-12-10-22(27)11-13-23/h6-13H,4-5,14-18H2,1-3H3