N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]nipecotamide Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S3/c1-27-20-22-17-10-9-15(12-18(17)28-20)21-19(24)14-6-5-11-23(13-14)29(25,26)16-7-3-2-4-8-16/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,21,24)