N-iodanyl-2-(4-phenylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine

Systemtic Name: N-iodanyl-2-(4-phenylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Openeye Name: N-iodo-2-(3-isopropylsulfonylpiperazin-1-yl)-2-(4-phenylphenyl)ethanamine CAS Name: N-iodo-2-(4-phenylphenyl)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)ethanamine IUPAC Name: N-iodo-2-(4-phenylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Traditional Name: iodo-[2-(3-isopropylsulfonylpiperazino)-2-(4-phenylphenyl)ethyl]amine Formula: C21H28IN3O2S MolecularWeight: 513.43539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C(CNI)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C(CNI)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H28IN3O2S/c1-16(2)28(26,27)21-15-25(13-12-23-21)20(14-24-22)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20-21,23-24H,12-15H2,1-2H3