3-(1,3-benzothiazol-2-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(1,3-benzothiazol-2-yl)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(1,3-benzothiazol-2-yl)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(1,3-benzothiazol-2-yl)propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-(4-besylpiperazino)propan-1-one Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

InChI

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