1,3-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide

Systemtic Name: 1,3-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide Openeye Name: 1,3-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide CAS Name: 1,3-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-pyrazolesulfonamide IUPAC Name: 1,3-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-1,3-dimethyl-pyrazole-4-sulfonamide Formula: C13H14N4O4S3 MolecularWeight: 386.46966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C13H14N4O4S3/c1-8-12(7-17(2)15-8)24(20,21)16-13-14-10-5-4-9(23(3,18)19)6-11(10)22-13/h4-7H,1-3H3,(H,14,16)