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

Systemtic Name: methyl 11-[2-(naphthalen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-(2-naphthylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-(2-naphthalenylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-(naphthalen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-(2-naphthylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C28H25NO5S2 MolecularWeight: 519.6318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H25NO5S2/c1-33-28(30)21-11-13-26-25(17-21)27(24-9-5-4-8-22(24)18-34-26)35-15-14-29-36(31,32)23-12-10-19-6-2-3-7-20(19)16-23/h2-13,16-17,27,29H,14-15,18H2,1H3