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

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane Formula: C28H36N4O2S MolecularWeight: 492.67604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C28H36N4O2S/c1-21-26(20-23-10-7-6-8-11-23)27(30-22(2)29-21)31-16-9-17-32(19-18-31)35(33,34)25-14-12-24(13-15-25)28(3,4)5/h6-8,10-15H,9,16-20H2,1-5H3