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

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C)C

InChI

InChI=1S/C22H32N4O2S/c1-16-17(2)23-18(3)24-21(16)25-12-7-13-26(15-14-25)29(27,28)20-10-8-19(9-11-20)22(4,5)6/h8-11H,7,12-15H2,1-6H3