N-[2-(3-iodanylpiperazin-1-yl)-2-[4-(phenylmethyl)phenyl]ethyl]propane-2-sulfonamide

Systemtic Name: N-[2-(3-iodanylpiperazin-1-yl)-2-[4-(phenylmethyl)phenyl]ethyl]propane-2-sulfonamide Openeye Name: N-[2-(4-benzylphenyl)-2-(3-iodopiperazin-1-yl)ethyl]propane-2-sulfonamide CAS Name: N-[2-(3-iodo-1-piperazinyl)-2-[4-(phenylmethyl)phenyl]ethyl]-2-propanesulfonamide IUPAC Name: N-[2-(4-benzylphenyl)-2-(3-iodopiperazin-1-yl)ethyl]propane-2-sulfonamide Traditional Name: N-[2-(4-benzylphenyl)-2-(3-iodopiperazino)ethyl]propane-2-sulfonamide Formula: C22H30IN3O2S MolecularWeight: 527.46197

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCC(C1=CC=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)I

Isomeric SMILES

CC(C)S(=O)(=O)NCC(C1=CC=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)I

InChI

InChI=1S/C22H30IN3O2S/c1-17(2)29(27,28)25-15-21(26-13-12-24-22(23)16-26)20-10-8-19(9-11-20)14-18-6-4-3-5-7-18/h3-11,17,21-22,24-25H,12-16H2,1-2H3