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

Systemtic Name: methyl 11-(phenylsulfonyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-(benzenesulfonyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(benzenesulfonyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-(benzenesulfonyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-besyl-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C22H18O5S MolecularWeight: 394.44032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18O5S/c1-26-22(23)15-11-12-20-19(13-15)21(18-10-6-5-7-16(18)14-27-20)28(24,25)17-8-3-2-4-9-17/h2-13,21H,14H2,1H3