3-(3-ethylsulfonylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N,N-dimethyl-propan-1-amine

Systemtic Name: 3-(3-ethylsulfonylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N,N-dimethyl-propan-1-amine Openeye Name: 3-(3-ethylsulfonylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N,N-dimethyl-propan-1-amine CAS Name: 3-[(3-ethylsulfonyl-5-benzo[b][1]benzoxepinyl)thio]-N,N-dimethyl-1-propanamine IUPAC Name: 3-(3-ethylsulfonylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N,N-dimethylpropan-1-amine Traditional Name: 3-[(3-esylbenzo[b][1]benzoxepin-5-yl)thio]propyl-dimethyl-amine Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C=C2SCCCN(C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C=C2SCCCN(C)C

InChI

InChI=1S/C21H25NO3S2/c1-4-27(23,24)17-10-11-20-18(15-17)21(26-13-7-12-22(2)3)14-16-8-5-6-9-19(16)25-20/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3