2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(3-piperidinosulfonylphenyl)acetamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O3S3/c25-20(14-28-15-21-23-18-9-2-3-10-19(18)29-21)22-16-7-6-8-17(13-16)30(26,27)24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H,22,25)