N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azepane-1-sulfonamide

Systemtic Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azepane-1-sulfonamide Openeye Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azepane-1-sulfonamide CAS Name: N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1-azepanesulfonamide IUPAC Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azepane-1-sulfonamide Traditional Name: N-[3-[4-(2-pyrimidyl)piperazino]propyl]azepane-1-sulfonamide Formula: C17H30N6O2S MolecularWeight: 382.5241

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H30N6O2S/c24-26(25,23-11-3-1-2-4-12-23)20-9-6-10-21-13-15-22(16-14-21)17-18-7-5-8-19-17/h5,7-8,20H,1-4,6,9-16H2