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

Systemtic Name: methyl 11-[2-[methyl(phenylsulfonyl)amino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-[benzenesulfonyl(methyl)amino]ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-[benzenesulfonyl(methyl)amino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-[besyl(methyl)amino]ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C25H25NO5S2 MolecularWeight: 483.5997

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCSC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(CCSC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO5S2/c1-26(33(28,29)20-9-4-3-5-10-20)14-15-32-24-21-11-7-6-8-19(21)17-31-23-13-12-18(16-22(23)24)25(27)30-2/h3-13,16,24H,14-15,17H2,1-2H3