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

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-(4-bromophenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(4-bromophenyl)sulfonyl-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-brosyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane Formula: C18H23BrN4O2S MolecularWeight: 439.36982

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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)Br)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN4O2S/c1-13-14(2)20-15(3)21-18(13)22-9-4-10-23(12-11-22)26(24,25)17-7-5-16(19)6-8-17/h5-8H,4,9-12H2,1-3H3