1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-benzylsulfonyl-ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethyl)sulfonylethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-benzylsulfonylethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-2-benzylsulfonyl-ethanone Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c24-19(15-28(25,26)14-16-6-2-1-3-7-16)22-10-12-23(13-11-22)20-21-17-8-4-5-9-18(17)27-20/h1-9H,10-15H2