methyl (11Z)-11-[3-(phenylsulfonylamino)propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl (11Z)-11-[3-(phenylsulfonylamino)propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (11Z)-11-[3-(benzenesulfonamido)propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11Z)-11-[3-(benzenesulfonamido)propylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (11Z)-11-[3-(benzenesulfonamido)propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11Z)-11-[3-(benzenesulfonamido)propylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCCNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C/CCNS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO5S/c1-30-25(27)18-13-14-24-23(16-18)22(21-11-6-5-8-19(21)17-31-24)12-7-15-26-32(28,29)20-9-3-2-4-10-20/h2-6,8-14,16,26H,7,15,17H2,1H3/b22-12-