N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]methanesulfonamide

Systemtic Name: N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]methanesulfonamide Openeye Name: N-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide CAS Name: N-[6-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3-benzothiazol-2-yl]methanesulfonamide IUPAC Name: N-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide Traditional Name: N-[6-[4-(2-pyrimidyl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl]methanesulfonamide Formula: C17H18N6O3S2 MolecularWeight: 418.49322

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CS(=O)(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H18N6O3S2/c1-28(25,26)21-17-20-13-4-3-12(11-14(13)27-17)15(24)22-7-9-23(10-8-22)16-18-5-2-6-19-16/h2-6,11H,7-10H2,1H3,(H,20,21)