[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanone

Systemtic Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanone Openeye Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[1-(6-methylpyrimidin-4-yl)-4-piperidyl]methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[1-(6-methyl-4-pyrimidinyl)-4-piperidinyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanone Traditional Name: (4-brosyl-1,4-diazepan-1-yl)-[1-(6-methylpyrimidin-4-yl)-4-piperidyl]methanone Formula: C22H28BrN5O3S MolecularWeight: 522.45842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)N2CCC(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=NC=N1)N2CCC(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H28BrN5O3S/c1-17-15-21(25-16-24-17)26-11-7-18(8-12-26)22(29)27-9-2-10-28(14-13-27)32(30,31)20-5-3-19(23)4-6-20/h3-6,15-16,18H,2,7-14H2,1H3