2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)acetamide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O4S3/c1-29-19-10-9-16(32(27,28)25-11-5-2-6-12-25)13-18(19)23-21(26)14-30-15-22-24-17-7-3-4-8-20(17)31-22/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H,23,26)