N,N-dimethyl-2-(3-methylsulfonylbenzo[b][1]benzothiepin-5-yl)sulfanyl-ethanamine

Systemtic Name: N,N-dimethyl-2-(3-methylsulfonylbenzo[b][1]benzothiepin-5-yl)sulfanyl-ethanamine Openeye Name: N,N-dimethyl-2-(3-methylsulfonylbenzo[b][1]benzothiepin-5-yl)sulfanyl-ethanamine CAS Name: N,N-dimethyl-2-[(3-methylsulfonyl-5-benzo[b][1]benzothiepinyl)thio]ethanamine IUPAC Name: N,N-dimethyl-2-(3-methylsulfonylbenzo[b][1]benzothiepin-5-yl)sulfanylethanamine Traditional Name: 2-[(3-mesylbenzo[b][1]benzothiepin-5-yl)thio]ethyl-dimethyl-amine Formula: C19H21NO2S3 MolecularWeight: 391.57054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN(C)CCSC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H21NO2S3/c1-20(2)10-11-23-19-12-14-6-4-5-7-17(14)24-18-9-8-15(13-16(18)19)25(3,21)22/h4-9,12-13H,10-11H2,1-3H3