2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-6-mesyl-1,3-benzothiazole Formula: C16H16ClN3O4S4 MolecularWeight: 478.02894

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C16H16ClN3O4S4/c1-27(21,22)11-2-3-12-13(10-11)25-16(18-12)19-6-8-20(9-7-19)28(23,24)15-5-4-14(17)26-15/h2-5,10H,6-9H2,1H3