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

Systemtic Name: 1-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-4-tosyl-1,4-diazepane Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O2S/c1-19(2)24-21(4)27-25(22-9-6-5-7-10-22)28-26(24)29-15-8-16-30(18-17-29)33(31,32)23-13-11-20(3)12-14-23/h5-7,9-14,19H,8,15-18H2,1-4H3