1-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-4-mesitylsulfonyl-1,4-diazepane Formula: C28H36N4O2S MolecularWeight: 492.67604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C28H36N4O2S/c1-19(2)25-23(6)29-27(24-11-8-7-9-12-24)30-28(25)31-13-10-14-32(16-15-31)35(33,34)26-21(4)17-20(3)18-22(26)5/h7-9,11-12,17-19H,10,13-16H2,1-6H3