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

Systemtic Name: 3-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]propan-1-amine Openeye Name: 3-(4-benzylsulfonyl-1,4-diazepan-1-yl)propan-1-amine CAS Name: 3-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]-1-propanamine IUPAC Name: 3-(4-benzylsulfonyl-1,4-diazepan-1-yl)propan-1-amine Traditional Name: 3-(4-benzylsulfonyl-1,4-diazepan-1-yl)propylamine Formula: C15H25N3O2S MolecularWeight: 311.4429

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2)CCCN

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2)CCCN

InChI

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