N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1,3,5-trimethyl-pyrazole-4-sulfonamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1,3,5-trimethyl-pyrazole-4-sulfonamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1,3,5-trimethyl-pyrazole-4-sulfonamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1,3,5-trimethyl-4-pyrazolesulfonamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1,3,5-trimethyl-pyrazole-4-sulfonamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)S(=O)(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O2S2/c1-13-20(14(2)24(3)22-13)28(25,26)23-16-10-8-15(9-11-16)12-19-21-17-6-4-5-7-18(17)27-19/h4-11,23H,12H2,1-3H3