2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide Formula: C22H25N3O3S3 MolecularWeight: 475.6472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25N3O3S3/c1-16-9-10-17(13-20(16)31(27,28)25-11-5-2-6-12-25)23-21(26)14-29-15-22-24-18-7-3-4-8-19(18)30-22/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H,23,26)