methyl 11-[2-(pyridin-3-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-[2-(pyridin-3-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-(3-pyridylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-(3-pyridinylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-(pyridin-3-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-(3-pyridylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H22N2O5S2/c1-29-23(26)16-8-9-21-20(13-16)22(19-7-3-2-5-17(19)15-30-21)31-12-11-25-32(27,28)18-6-4-10-24-14-18/h2-10,13-14,22,25H,11-12,15H2,1H3