1-(2,4,6-trimethylphenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane

Systemtic Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-mesitylsulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Formula: C21H30N4O2S MolecularWeight: 402.5535

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-14-12-15(2)20(16(3)13-14)28(26,27)25-9-7-8-24(10-11-25)21-17(4)18(5)22-19(6)23-21/h12-13H,7-11H2,1-6H3