4-hexadecoxy-2-[[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid

Systemtic Name: 4-hexadecoxy-2-[[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid Openeye Name: 4-hexadecoxy-2-[[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid CAS Name: 4-hexadecoxy-2-[[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid IUPAC Name: 4-hexadecoxy-2-[[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid Traditional Name: 4-cetyloxy-2-[[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid Formula: C31H45N3O5S2 MolecularWeight: 603.8361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)O)S(=O)(=O)NN=C2N(C3=CC=CC=C3S2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)O)S(=O)(=O)N/N=C\2/N(C3=CC=CC=C3S2)C

InChI

InChI=1S/C31H45N3O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-39-25-21-22-26(30(35)36)29(24-25)41(37,38)33-32-31-34(2)27-19-16-17-20-28(27)40-31/h16-17,19-22,24,33H,3-15,18,23H2,1-2H3,(H,35,36)/b32-31-