2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-2-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(4-pyrrolidinosulfonylphenyl)thiazol-2-yl]methyl]-1,3-benzothiazole Formula: C21H19N3O2S3 MolecularWeight: 441.58946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N3O2S3/c25-29(26,24-11-3-4-12-24)16-9-7-15(8-10-16)18-14-27-20(23-18)13-21-22-17-5-1-2-6-19(17)28-21/h1-2,5-10,14H,3-4,11-13H2