3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)piperidino]sulfonyl-N,N-dimethyl-benzenesulfonamide Formula: C20H23N3O4S3 MolecularWeight: 465.60932

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N3O4S3/c1-22(2)29(24,25)16-6-5-7-17(14-16)30(26,27)23-12-10-15(11-13-23)20-21-18-8-3-4-9-19(18)28-20/h3-9,14-15H,10-13H2,1-2H3