N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-[2-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-[2-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C20H20BrN3O3S3 MolecularWeight: 526.4901

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CSC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O3S3/c1-28-16-4-2-3-5-18(16)30(26,27)24-10-8-13(9-11-24)19(25)23-20-22-15-7-6-14(21)12-17(15)29-20/h2-7,12-13H,8-11H2,1H3,(H,22,23,25)