1-(4-tert-butylphenyl)sulfonyl-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane Formula: C29H38N4O2S MolecularWeight: 506.70262

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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)C(C)(C)C)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O2S/c1-6-27-26(21-23-11-8-7-9-12-23)28(31-22(2)30-27)32-17-10-18-33(20-19-32)36(34,35)25-15-13-24(14-16-25)29(3,4)5/h7-9,11-16H,6,10,17-21H2,1-5H3