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

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4SC

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4SC

InChI

InChI=1S/C21H23N3O4S3/c1-28-15-6-5-8-17-19(15)22-21(30-17)23-20(25)14-10-12-24(13-11-14)31(26,27)18-9-4-3-7-16(18)29-2/h3-9,14H,10-13H2,1-2H3,(H,22,23,25)