(1,5-dimethylpyrazol-4-yl)sulfonyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)azanide

Systemtic Name: (1,5-dimethylpyrazol-4-yl)sulfonyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)azanide Openeye Name: (1,5-dimethylpyrazol-4-yl)sulfonyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)azanide CAS Name: (1,5-dimethyl-4-pyrazolyl)sulfonyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)azanide IUPAC Name: (1,5-dimethylpyrazol-4-yl)sulfonyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)azanide Traditional Name: (1,5-dimethylpyrazol-4-yl)sulfonyl-(6-mesyl-1,3-benzothiazol-2-yl)azanide Formula: C13H13N4O4S3- MolecularWeight: 385.46172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)[N-]C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)[N-]C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C13H13N4O4S3/c1-8-12(7-14-17(8)2)24(20,21)16-13-15-10-5-4-9(23(3,18)19)6-11(10)22-13/h4-7H,1-3H3/q-1