2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25N3O4S3/c1-2-29-17-8-11-19-20(14-17)31-22(24-19)30-15-21(26)23-16-6-9-18(10-7-16)32(27,28)25-12-4-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,26)