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

Systemtic Name: [4-(phenylsulfonyl)-1,4-diazepan-1-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone Openeye Name: [4-(benzenesulfonyl)-1,4-diazepan-1-yl]-(1-pyrimidin-4-yl-4-piperidyl)methanone CAS Name: [4-(benzenesulfonyl)-1,4-diazepan-1-yl]-[1-(4-pyrimidinyl)-4-piperidinyl]methanone IUPAC Name: [4-(benzenesulfonyl)-1,4-diazepan-1-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone Traditional Name: (4-besyl-1,4-diazepan-1-yl)-[1-(4-pyrimidyl)-4-piperidyl]methanone Formula: C21H27N5O3S MolecularWeight: 429.53578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3S/c27-21(18-8-13-24(14-9-18)20-7-10-22-17-23-20)25-11-4-12-26(16-15-25)30(28,29)19-5-2-1-3-6-19/h1-3,5-7,10,17-18H,4,8-9,11-16H2