2-[2-[2-(phenylsulfonyl)ethyl]azepan-1-yl]ethanamine

Systemtic Name: 2-[2-[2-(phenylsulfonyl)ethyl]azepan-1-yl]ethanamine Openeye Name: 2-[2-[2-(benzenesulfonyl)ethyl]azepan-1-yl]ethanamine CAS Name: 2-[2-[2-(benzenesulfonyl)ethyl]-1-azepanyl]ethanamine IUPAC Name: 2-[2-[2-(benzenesulfonyl)ethyl]azepan-1-yl]ethanamine Traditional Name: 2-[2-(2-besylethyl)azepan-1-yl]ethylamine Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)CCN)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(N(CC1)CCN)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H26N2O2S/c17-11-13-18-12-6-2-3-7-15(18)10-14-21(19,20)16-8-4-1-5-9-16/h1,4-5,8-9,15H,2-3,6-7,10-14,17H2