N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-(4-piperidinosulfonylphenyl)acetamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H23N3O3S3/c1-28-21-23-18-10-7-16(14-19(18)29-21)22-20(25)13-15-5-8-17(9-6-15)30(26,27)24-11-3-2-4-12-24/h5-10,14H,2-4,11-13H2,1H3,(H,22,25)