2-[5-(2-methylsulfonyloxyethyl)benzo[b][1]benzothiepin-6-yl]ethyl methanesulfonate

Systemtic Name: 2-[5-(2-methylsulfonyloxyethyl)benzo[b][1]benzothiepin-6-yl]ethyl methanesulfonate Openeye Name: 2-[5-(2-methylsulfonyloxyethyl)benzo[b][1]benzothiepin-6-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[5-(2-methylsulfonyloxyethyl)-6-benzo[b][1]benzothiepinyl]ethyl ester IUPAC Name: 2-[5-(2-methylsulfonyloxyethyl)benzo[b][1]benzothiepin-6-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[5-(2-methylsulfonyloxyethyl)benzo[b][1]benzothiepin-6-yl]ethyl ester Formula: C20H22O6S3 MolecularWeight: 454.58008

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC1=C(C2=CC=CC=C2SC3=CC=CC=C31)CCOS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OCCC1=C(C2=CC=CC=C2SC3=CC=CC=C31)CCOS(=O)(=O)C

InChI

InChI=1S/C20H22O6S3/c1-28(21,22)25-13-11-15-16(12-14-26-29(2,23)24)18-8-4-6-10-20(18)27-19-9-5-3-7-17(15)19/h3-10H,11-14H2,1-2H3