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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-1-propan-2-yl-pyrazole-4-sulfonamide Openeye Name: 1-isopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-pyrazole-4-sulfonamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-1-propan-2-yl-4-pyrazolesulfonamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide Traditional Name: 1-isopropyl-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-phenyl-pyrazole-4-sulfonamide Formula: C20H20N4O4S3 MolecularWeight: 476.5922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=N1)C2=CC=CC=C2)S(=O)(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)N1C=C(C(=N1)C2=CC=CC=C2)S(=O)(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H20N4O4S3/c1-13(2)24-12-18(19(22-24)14-7-5-4-6-8-14)31(27,28)23-20-21-16-10-9-15(30(3,25)26)11-17(16)29-20/h4-13H,1-3H3,(H,21,23)