2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)ethanamide Openeye Name: N-[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyphenyl]acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide Traditional Name: N-(2-isopropoxy-5-piperidinosulfonyl-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H27N3O5S2/c1-16(2)29-19-10-9-17(31(27,28)23-11-5-3-6-12-23)14-18(19)22-20(25)15-30-21-8-4-7-13-24(21)26/h4,7-10,13-14,16H,3,5-6,11-12,15H2,1-2H3,(H,22,25)