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

Systemtic Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-phenoxy-1-propanone IUPAC Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]-2-phenoxy-propan-1-one Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S2/c1-15(28-16-6-4-3-5-7-16)20(25)23-10-12-24(13-11-23)21-22-18-9-8-17(30(2,26)27)14-19(18)29-21/h3-9,14-15H,10-13H2,1-2H3