2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-[4-(4-methoxyphenyl)sulfonylpiperazino]ethanone Formula: C20H20ClN3O4S3 MolecularWeight: 498.0385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C20H20ClN3O4S3/c1-28-15-3-5-16(6-4-15)31(26,27)24-10-8-23(9-11-24)19(25)13-29-20-22-17-12-14(21)2-7-18(17)30-20/h2-7,12H,8-11,13H2,1H3