2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(4-piperidinosulfonylphenyl)acetamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H21N3O4S2/c24-19(14-28-20-22-17-6-2-3-7-18(17)27-20)21-15-8-10-16(11-9-15)29(25,26)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H,21,24)