[3-(azepan-1-ylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O3S/c27-20(24-13-15-25(16-14-24)21-22-9-6-10-23-21)18-7-5-8-19(17-18)30(28,29)26-11-3-1-2-4-12-26/h5-10,17H,1-4,11-16H2