5-[[(Z)-(1-ethyl-3,3-dimethyl-indol-2-ylidene)amino]sulfamoyl]-2-octadecoxy-benzoic acid

Systemtic Name: 5-[[(Z)-(1-ethyl-3,3-dimethyl-indol-2-ylidene)amino]sulfamoyl]-2-octadecoxy-benzoic acid Openeye Name: 5-[[(Z)-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)amino]sulfamoyl]-2-octadecoxy-benzoic acid CAS Name: 5-[[(Z)-(1-ethyl-3,3-dimethyl-2-indolylidene)amino]sulfamoyl]-2-octadecoxybenzoic acid IUPAC Name: 5-[[(Z)-(1-ethyl-3,3-dimethylindol-2-ylidene)amino]sulfamoyl]-2-octadecoxybenzoic acid Traditional Name: 5-[[(Z)-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)amino]sulfamoyl]-2-stearyloxy-benzoic acid Formula: C37H57N3O5S MolecularWeight: 655.93058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NN=C2C(C3=CC=CC=C3N2CC)(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)N/N=C\2/C(C3=CC=CC=C3N2CC)(C)C)C(=O)O

InChI

InChI=1S/C37H57N3O5S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-45-34-27-26-30(29-31(34)35(41)42)46(43,44)39-38-36-37(3,4)32-24-21-22-25-33(32)40(36)6-2/h21-22,24-27,29,39H,5-20,23,28H2,1-4H3,(H,41,42)/b38-36-