1-[4-(5-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(5-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-ethanone Openeye Name: 1-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(p-tolylsulfonyl)ethanone CAS Name: 1-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-methylphenyl)sulfonylethanone IUPAC Name: 1-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone Traditional Name: 1-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazino]-2-tosyl-ethanone Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4OC)Cl

InChI

InChI=1S/C21H22ClN3O4S2/c1-14-3-5-15(6-4-14)31(27,28)13-18(26)24-9-11-25(12-10-24)21-23-19-17(30-21)8-7-16(22)20(19)29-2/h3-8H,9-13H2,1-2H3