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

Systemtic Name: 1-(4-cyanophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Openeye Name: 1-(4-cyanophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide CAS Name: 1-(4-cyanophenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-cyanophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Traditional Name: 1-(4-cyanophenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]isonipecotamide Formula: C21H20N4O3S3 MolecularWeight: 472.6035

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H20N4O3S3/c1-29-21-24-18-7-4-16(12-19(18)30-21)23-20(26)15-8-10-25(11-9-15)31(27,28)17-5-2-14(13-22)3-6-17/h2-7,12,15H,8-11H2,1H3,(H,23,26)