1-(4-chlorophenyl)sulfonyl-4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-4-(4-chlorophenyl)sulfonyl-1,4-diazepane CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-4-(4-chlorophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-4-(4-chlorophenyl)sulfonyl-1,4-diazepane Formula: C29H29ClN4O2S MolecularWeight: 533.08416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C29H29ClN4O2S/c1-22-27(21-23-9-4-2-5-10-23)29(32-28(31-22)24-11-6-3-7-12-24)33-17-8-18-34(20-19-33)37(35,36)26-15-13-25(30)14-16-26/h2-7,9-16H,8,17-21H2,1H3