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

Systemtic Name: methyl 9-bromanyl-11-[2-(phenylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-(benzenesulfonamido)ethylsulfanyl]-9-bromo-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-(benzenesulfonamido)ethylthio]-9-bromo-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-(benzenesulfonamido)ethylsulfanyl]-9-bromo-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-(benzenesulfonamido)ethylthio]-9-bromo-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C24H22BrNO5S2 MolecularWeight: 548.46918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=C(C2SCCNS(=O)(=O)C4=CC=CC=C4)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=C(C2SCCNS(=O)(=O)C4=CC=CC=C4)C=C(C=C3)Br

InChI

InChI=1S/C24H22BrNO5S2/c1-30-24(27)16-8-10-22-21(13-16)23(20-14-18(25)9-7-17(20)15-31-22)32-12-11-26-33(28,29)19-5-3-2-4-6-19/h2-10,13-14,23,26H,11-12,15H2,1H3