2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[(4-indolin-1-ylsulfonyl-3,5-dimethyl-pyrazol-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[(4-indolin-1-ylsulfonyl-3,5-dimethyl-pyrazol-1-yl)methyl]-1,3-benzothiazole Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NC3=CC=CC=C3S2)C)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=NN1CC2=NC3=CC=CC=C3S2)C)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C21H20N4O2S2/c1-14-21(29(26,27)25-12-11-16-7-3-5-9-18(16)25)15(2)24(23-14)13-20-22-17-8-4-6-10-19(17)28-20/h3-10H,11-13H2,1-2H3