1-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone Openeye Name: 2-benzylsulfonyl-1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethyl)sulfonylethanone IUPAC Name: 2-benzylsulfonyl-1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-benzylsulfonyl-1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O4S2/c1-29-17-8-7-16(22)20-19(17)23-21(30-20)25-11-9-24(10-12-25)18(26)14-31(27,28)13-15-5-3-2-4-6-15/h2-8H,9-14H2,1H3