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

Systemtic Name: 1-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-mesitylsulfonyl-1,4-diazepane Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O2S/c1-19-16-20(2)26(21(3)17-19)34(32,33)31-13-9-12-30(14-15-31)27-25(22(4)28-23(5)29-27)18-24-10-7-6-8-11-24/h6-8,10-11,16-17H,9,12-15,18H2,1-5H3