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

Systemtic Name: 11-[2-(phenylsulfonylamino)ethylamino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-[2-(benzenesulfonamido)ethylamino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-[2-(benzenesulfonamido)ethylamino]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-[2-(benzenesulfonamido)ethylamino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-[2-(benzenesulfonamido)ethylamino]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5S/c26-23(27)16-10-11-21-20(14-16)22(19-9-5-4-6-17(19)15-30-21)24-12-13-25-31(28,29)18-7-2-1-3-8-18/h1-11,14,22,24-25H,12-13,15H2,(H,26,27)