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

Systemtic Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone Openeye Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[1-(2-methylpyrimidin-4-yl)-4-piperidyl]methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[1-(2-methyl-4-pyrimidinyl)-4-piperidinyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone Traditional Name: (4-brosyl-1,4-diazepan-1-yl)-[1-(2-methylpyrimidin-4-yl)-4-piperidyl]methanone Formula: C22H28BrN5O3S MolecularWeight: 522.45842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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