1-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone Openeye Name: 2-benzylsulfonyl-1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethyl)sulfonylethanone IUPAC Name: 2-benzylsulfonyl-1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-benzylsulfonyl-1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]ethanone 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)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)CS(=O)(=O)CC4=CC=CC=C4

InChI

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