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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(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=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

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

InChI

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