3-(4-pyridin-3-ylsulfonyl-1,4-diazepan-1-yl)propan-1-amine

Systemtic Name: 3-(4-pyridin-3-ylsulfonyl-1,4-diazepan-1-yl)propan-1-amine Openeye Name: 3-[4-(3-pyridylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine CAS Name: 3-[4-(3-pyridinylsulfonyl)-1,4-diazepan-1-yl]-1-propanamine IUPAC Name: 3-(4-pyridin-3-ylsulfonyl-1,4-diazepan-1-yl)propan-1-amine Traditional Name: 3-[4-(3-pyridylsulfonyl)-1,4-diazepan-1-yl]propylamine Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CN=CC=C2)CCCN

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CN=CC=C2)CCCN

InChI

InChI=1S/C13H22N4O2S/c14-5-2-7-16-8-3-9-17(11-10-16)20(18,19)13-4-1-6-15-12-13/h1,4,6,12H,2-3,5,7-11,14H2