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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNCCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)CCNCCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H26N2O2S/c19-21(20,16-8-4-3-5-9-16)15-11-17-10-14-18-12-6-1-2-7-13-18/h3-5,8-9,17H,1-2,6-7,10-15H2