2-[2-(phenylsulfonyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: 2-[2-(phenylsulfonyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: 2-[2-(benzenesulfonyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: 2-[2-(benzenesulfonyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: 2-[2-(benzenesulfonyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [2-(2-besylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-yl]amine Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CCS(=O)(=O)C2=CC=CC=C2)N

Isomeric SMILES

C1CCC(=NC(C1)CCS(=O)(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C14H20N2O2S/c15-14-9-5-4-6-12(16-14)10-11-19(17,18)13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2,(H2,15,16)