methyl 2-[11-[2-(phenylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]ethanoate

Systemtic Name: methyl 2-[11-[2-(phenylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]ethanoate Openeye Name: methyl 2-[11-[2-(benzenesulfonamido)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetate CAS Name: 2-[11-[2-(benzenesulfonamido)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[11-[2-(benzenesulfonamido)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetate Traditional Name: 2-[11-[2-(benzenesulfonamido)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid methyl ester Formula: C25H25NO5S2 MolecularWeight: 483.5997

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO5S2/c1-30-24(27)16-18-11-12-23-22(15-18)25(21-10-6-5-7-19(21)17-31-23)32-14-13-26-33(28,29)20-8-3-2-4-9-20/h2-12,15,25-26H,13-14,16-17H2,1H3