1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]pentan-1-one

Systemtic Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]pentan-1-one CAS Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]pentan-1-one Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H23N3O3S2/c1-3-4-5-16(21)19-8-10-20(11-9-19)17-18-14-7-6-13(25(2,22)23)12-15(14)24-17/h6-7,12H,3-5,8-11H2,1-2H3