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

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane Formula: C29H38N4O2S MolecularWeight: 506.70262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C)C

InChI

InChI=1S/C29H38N4O2S/c1-21-8-10-24(11-9-21)20-27-22(2)30-23(3)31-28(27)32-16-7-17-33(19-18-32)36(34,35)26-14-12-25(13-15-26)29(4,5)6/h8-15H,7,16-20H2,1-6H3