2-(3-iodanylpiperazin-1-yl)-N-(phenylmethyl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine

Systemtic Name: 2-(3-iodanylpiperazin-1-yl)-N-(phenylmethyl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine Openeye Name: N-benzyl-2-(3-iodopiperazin-1-yl)-2-(4-isopropylsulfonylphenyl)ethanamine CAS Name: 2-(3-iodo-1-piperazinyl)-N-(phenylmethyl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine IUPAC Name: N-benzyl-2-(3-iodopiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine Traditional Name: benzyl-[2-(3-iodopiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]amine Formula: C22H30IN3O2S MolecularWeight: 527.46197

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)I

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)I

InChI

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