[1-(4-bromophenyl)sulfonyl-5H-1,4-diazepin-4-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone

Systemtic Name: [1-(4-bromophenyl)sulfonyl-5H-1,4-diazepin-4-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone Openeye Name: [1-(4-bromophenyl)sulfonyl-5H-1,4-diazepin-4-yl]-(1-pyrimidin-4-yl-4-piperidyl)methanone CAS Name: [1-(4-bromophenyl)sulfonyl-5H-1,4-diazepin-4-yl]-[1-(4-pyrimidinyl)-4-piperidinyl]methanone IUPAC Name: [1-(4-bromophenyl)sulfonyl-5H-1,4-diazepin-4-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone Traditional Name: (1-brosyl-5H-1,4-diazepin-4-yl)-[1-(4-pyrimidyl)-4-piperidyl]methanone Formula: C21H22BrN5O3S MolecularWeight: 504.40008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC=CN(C=C2)S(=O)(=O)C3=CC=C(C=C3)Br)C4=NC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC=CN(C=C2)S(=O)(=O)C3=CC=C(C=C3)Br)C4=NC=NC=C4

InChI

InChI=1S/C21H22BrN5O3S/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/h1-6,9,11,14-17H,7-8,10,12-13H2