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

Systemtic Name: 1-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20ClN3O3S2/c21-15-6-7-17-18(14-15)28-20(22-17)24-11-9-23(10-12-24)19(25)8-13-29(26,27)16-4-2-1-3-5-16/h1-7,14H,8-13H2