methyl 11-[2-(phenylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-9-carboxylate

Systemtic Name: methyl 11-[2-(phenylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-9-carboxylate Openeye Name: methyl 11-[2-(benzenesulfonamido)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-9-carboxylate CAS Name: 11-[2-(benzenesulfonamido)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-9-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-(benzenesulfonamido)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-9-carboxylate Traditional Name: 11-[2-(benzenesulfonamido)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-9-carboxylic acid methyl ester Formula: C24H23NO5S2 MolecularWeight: 469.57312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(COC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CC=CC=C4)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(COC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C24H23NO5S2/c1-29-24(26)17-11-12-18-16-30-22-10-6-5-9-20(22)23(21(18)15-17)31-14-13-25-32(27,28)19-7-3-2-4-8-19/h2-12,15,23,25H,13-14,16H2,1H3