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

Systemtic Name: 9-bromanyl-11-[2-(phenylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-[2-(benzenesulfonamido)ethylsulfanyl]-9-bromo-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-[2-(benzenesulfonamido)ethylthio]-9-bromo-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-[2-(benzenesulfonamido)ethylsulfanyl]-9-bromo-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-[2-(benzenesulfonamido)ethylthio]-9-bromo-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C23H20BrNO5S2 MolecularWeight: 534.4426

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)Br)C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=C(C=C2)Br)C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20BrNO5S2/c24-17-8-6-16-14-30-21-9-7-15(23(26)27)12-20(21)22(19(16)13-17)31-11-10-25-32(28,29)18-4-2-1-3-5-18/h1-9,12-13,22,25H,10-11,14H2,(H,26,27)