[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone

Systemtic Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone Openeye Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-(1-pyrimidin-4-yl-4-piperidyl)methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-[1-(4-pyrimidinyl)-4-piperidinyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone Traditional Name: (4-brosyl-1,4-diazepan-1-yl)-[1-(4-pyrimidyl)-4-piperidyl]methanone Formula: C21H26BrN5O3S MolecularWeight: 508.43184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)C3CCN(CC3)C4=NC=NC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)C3CCN(CC3)C4=NC=NC=C4

InChI

InChI=1S/C21H26BrN5O3S/c22-18-2-4-19(5-3-18)31(29,30)27-11-1-10-26(14-15-27)21(28)17-7-12-25(13-8-17)20-6-9-23-16-24-20/h2-6,9,16-17H,1,7-8,10-15H2