disodium 5-[[2,6-bis(chloranyl)phenyl]methoxy]-1-[(6Z)-6-oxidanidyl-6-(phenylsulfonylimino)hexyl]indole-2-carboxylate

Systemtic Name: disodium 5-[[2,6-bis(chloranyl)phenyl]methoxy]-1-[(6Z)-6-oxidanidyl-6-(phenylsulfonylimino)hexyl]indole-2-carboxylate Openeye Name: disodium 1-[(6Z)-6-(benzenesulfonylimino)-6-oxido-hexyl]-5-[(2,6-dichlorophenyl)methoxy]indole-2-carboxylate CAS Name: disodium 1-[(6Z)-6-(benzenesulfonylimino)-6-oxidohexyl]-5-[(2,6-dichlorophenyl)methoxy]-2-indolecarboxylate IUPAC Name: disodium 1-[(6Z)-6-(benzenesulfonylimino)-6-oxidohexyl]-5-[(2,6-dichlorophenyl)methoxy]indole-2-carboxylate Traditional Name: disodium 1-[(6Z)-6-besylimino-6-oxido-hexyl]-5-(2,6-dichlorobenzyl)oxy-indole-2-carboxylate Formula: C28H24Cl2N2Na2O6S MolecularWeight: 633.4505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N=C(CCCCCN2C3=C(C=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)C=C2C(=O)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)/N=C(/CCCCCN2C3=C(C=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)C=C2C(=O)[O-])\[O-].[Na+].[Na+]

InChI

InChI=1S/C28H26Cl2N2O6S.2Na/c29-23-10-7-11-24(30)22(23)18-38-20-13-14-25-19(16-20)17-26(28(34)35)32(25)15-6-2-5-12-27(33)31-39(36,37)21-8-3-1-4-9-21;;/h1,3-4,7-11,13-14,16-17H,2,5-6,12,15,18H2,(H,31,33)(H,34,35);;/q;2*+1/p-2