1-(4-chlorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: 1-(4-chlorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(4-chlorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-(4-chlorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]nipecotamide Formula: C20H20ClN3O3S3 MolecularWeight: 482.0391

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3O3S3/c1-28-15-6-9-17-18(11-15)29-20(22-17)23-19(25)13-3-2-10-24(12-13)30(26,27)16-7-4-14(21)5-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,23,25)