[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(2-methyl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (4-brosyl-1,4-diazepan-1-yl)-[4-(2-methylpyrimidin-4-yl)piperazino]methanone Formula: C21H27BrN6O3S MolecularWeight: 523.44648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)N2CCN(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NC=CC(=N1)N2CCN(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H27BrN6O3S/c1-17-23-8-7-20(24-17)25-11-13-27(14-12-25)21(29)26-9-2-10-28(16-15-26)32(30,31)19-5-3-18(22)4-6-19/h3-8H,2,9-16H2,1H3