11-[2-(quinolin-8-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: 11-[2-(quinolin-8-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-[2-(8-quinolylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-[2-(8-quinolinylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-[2-(quinolin-8-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-[2-(8-quinolylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C26H22N2O5S2 MolecularWeight: 506.59328

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C26H22N2O5S2/c29-26(30)18-10-11-22-21(15-18)25(20-8-2-1-5-19(20)16-33-22)34-14-13-28-35(31,32)23-9-3-6-17-7-4-12-27-24(17)23/h1-12,15,25,28H,13-14,16H2,(H,29,30)