(2Z)-2-[(3-acetamido-4-hexadecylsulfonyl-phenyl)sulfonylhydrazinylidene]-3-methyl-1,3-benzothiazole-5-sulfonic acid

Systemtic Name: (2Z)-2-[(3-acetamido-4-hexadecylsulfonyl-phenyl)sulfonylhydrazinylidene]-3-methyl-1,3-benzothiazole-5-sulfonic acid Openeye Name: (2Z)-2-[(3-acetamido-4-hexadecylsulfonyl-phenyl)sulfonylhydrazono]-3-methyl-1,3-benzothiazole-5-sulfonic acid CAS Name: (2Z)-2-[(3-acetamido-4-hexadecylsulfonylphenyl)sulfonylhydrazinylidene]-3-methyl-1,3-benzothiazole-5-sulfonic acid IUPAC Name: (2Z)-2-[(3-acetamido-4-hexadecylsulfonylphenyl)sulfonylhydrazinylidene]-3-methyl-1,3-benzothiazole-5-sulfonic acid Traditional Name: (2Z)-2-[(3-acetamido-4-cetylsulfonyl-phenyl)sulfonylhydrazono]-3-methyl-1,3-benzothiazole-5-sulfonic acid Formula: C32H48N4O8S4 MolecularWeight: 745.00552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)NN=C2N(C3=C(S2)C=CC(=C3)S(=O)(=O)O)C)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)N/N=C\2/N(C3=C(S2)C=CC(=C3)S(=O)(=O)O)C)NC(=O)C

InChI

InChI=1S/C32H48N4O8S4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-46(38,39)31-21-19-26(23-28(31)33-25(2)37)47(40,41)35-34-32-36(3)29-24-27(48(42,43)44)18-20-30(29)45-32/h18-21,23-24,35H,4-17,22H2,1-3H3,(H,33,37)(H,42,43,44)/b34-32-