2-methyl-6-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-benzothiazole

Systemtic Name: 2-methyl-6-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-benzothiazole Openeye Name: 2-methyl-6-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-benzothiazole CAS Name: 2-methyl-6-[[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]-1,3-benzothiazole IUPAC Name: 2-methyl-6-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-benzothiazole Traditional Name: 2-methyl-6-[4-(6-piperidinopyrimidin-4-yl)piperazino]sulfonyl-1,3-benzothiazole Formula: C21H26N6O2S2 MolecularWeight: 458.60014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC=NC(=C4)N5CCCCC5

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC=NC(=C4)N5CCCCC5

InChI

InChI=1S/C21H26N6O2S2/c1-16-24-18-6-5-17(13-19(18)30-16)31(28,29)27-11-9-26(10-12-27)21-14-20(22-15-23-21)25-7-3-2-4-8-25/h5-6,13-15H,2-4,7-12H2,1H3