3-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine

Systemtic Name: 3-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine Openeye Name: 3-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]propan-1-amine CAS Name: 3-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-1-propanamine IUPAC Name: 3-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]propan-1-amine Traditional Name: 3-(4-besyl-1,4-diazepan-1-yl)propylamine Formula: C14H23N3O2S MolecularWeight: 297.41632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O2S/c15-8-4-9-16-10-5-11-17(13-12-16)20(18,19)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,15H2