11-[2-(phenylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-9-carboxylic acid

Systemtic Name: 11-[2-(phenylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-9-carboxylic acid Openeye Name: 11-[2-(benzenesulfonamido)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-9-carboxylic acid CAS Name: 11-[2-(benzenesulfonamido)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-9-carboxylic acid IUPAC Name: 11-[2-(benzenesulfonamido)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-9-carboxylic acid Traditional Name: 11-[2-(benzenesulfonamido)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-9-carboxylic acid Formula: C23H21NO5S2 MolecularWeight: 455.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)O)C(C3=CC=CC=C3O1)SCCNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)O)C(C3=CC=CC=C3O1)SCCNS(=O)(=O)C4=CC=CC=C4

InChI

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