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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-[2-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-[2-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C20H20ClN3O3S3 MolecularWeight: 482.0391

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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=CC=C4Cl

Isomeric SMILES

CSC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C20H20ClN3O3S3/c1-28-15-6-2-3-8-17(15)30(26,27)24-11-9-13(10-12-24)19(25)23-20-22-18-14(21)5-4-7-16(18)29-20/h2-8,13H,9-12H2,1H3,(H,22,23,25)