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

Systemtic Name: 2-methyl-6-[4-(piperazin-1-ylmethyl)-1-pyridin-4-yl-piperidin-4-yl]sulfonyl-1,3-benzothiazole Openeye Name: 2-methyl-6-[[4-(piperazin-1-ylmethyl)-1-(4-pyridyl)-4-piperidyl]sulfonyl]-1,3-benzothiazole CAS Name: 2-methyl-6-[[4-(1-piperazinylmethyl)-1-pyridin-4-yl-4-piperidinyl]sulfonyl]-1,3-benzothiazole IUPAC Name: 2-methyl-6-[4-(piperazin-1-ylmethyl)-1-pyridin-4-ylpiperidin-4-yl]sulfonyl-1,3-benzothiazole Traditional Name: 2-methyl-6-[[4-(piperazinomethyl)-1-(4-pyridyl)-4-piperidyl]sulfonyl]-1,3-benzothiazole Formula: C23H29N5O2S2 MolecularWeight: 471.63866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C3(CCN(CC3)C4=CC=NC=C4)CN5CCNCC5

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C3(CCN(CC3)C4=CC=NC=C4)CN5CCNCC5

InChI

InChI=1S/C23H29N5O2S2/c1-18-26-21-3-2-20(16-22(21)31-18)32(29,30)23(17-27-14-10-25-11-15-27)6-12-28(13-7-23)19-4-8-24-9-5-19/h2-5,8-9,16,25H,6-7,10-15,17H2,1H3