11-[2-(phenylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-3-carboxylic acid

Systemtic Name: 11-[2-(phenylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-3-carboxylic acid Openeye Name: 11-[2-(benzenesulfonamido)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-3-carboxylic acid CAS Name: 11-[2-(benzenesulfonamido)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-3-carboxylic acid IUPAC Name: 11-[2-(benzenesulfonamido)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-3-carboxylic acid Traditional Name: 11-[2-(benzenesulfonamido)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-3-carboxylic acid Formula: C23H21NO5S2 MolecularWeight: 455.54654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO5S2/c25-23(26)16-10-11-20-21(14-16)29-15-17-6-4-5-9-19(17)22(20)30-13-12-24-31(27,28)18-7-2-1-3-8-18/h1-11,14,22,24H,12-13,15H2,(H,25,26)