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

Systemtic Name: 11-[2-(naphthalen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-[2-(2-naphthylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-[2-(2-naphthalenylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-[2-(naphthalen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-[2-(2-naphthylsulfonylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C27H23NO5S2 MolecularWeight: 505.60522

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H23NO5S2/c29-27(30)20-10-12-25-24(16-20)26(23-8-4-3-7-21(23)17-33-25)34-14-13-28-35(31,32)22-11-9-18-5-1-2-6-19(18)15-22/h1-12,15-16,26,28H,13-14,17H2,(H,29,30)