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

Systemtic Name: 4-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]butan-1-amine Openeye Name: 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]butan-1-amine CAS Name: 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-1-butanamine IUPAC Name: 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]butan-1-amine Traditional Name: 4-(4-besyl-1,4-diazepan-1-yl)butylamine Formula: C15H25N3O2S MolecularWeight: 311.4429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O2S/c16-9-4-5-10-17-11-6-12-18(14-13-17)21(19,20)15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-14,16H2