N-[2-(3-iodanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]propane-2-sulfonamide

Systemtic Name: N-[2-(3-iodanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]propane-2-sulfonamide Openeye Name: N-[2-(3-iodopiperazin-1-yl)-2-(4-isopropylsulfonylphenyl)ethyl]propane-2-sulfonamide CAS Name: N-[2-(3-iodo-1-piperazinyl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]-2-propanesulfonamide IUPAC Name: N-[2-(3-iodopiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]propane-2-sulfonamide Traditional Name: N-[2-(3-iodopiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]propane-2-sulfonamide Formula: C18H30IN3O4S2 MolecularWeight: 543.48297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)I

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)I

InChI

InChI=1S/C18H30IN3O4S2/c1-13(2)27(23,24)16-7-5-15(6-8-16)17(11-21-28(25,26)14(3)4)22-10-9-20-18(19)12-22/h5-8,13-14,17-18,20-21H,9-12H2,1-4H3