N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-propan-2-yloxy-phenyl]-4-iodanyl-benzenesulfonamide

Systemtic Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-propan-2-yloxy-phenyl]-4-iodanyl-benzenesulfonamide Openeye Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-isopropoxy-phenyl]-4-iodo-benzenesulfonamide CAS Name: N-[5-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-2-propan-2-yloxyphenyl]-4-iodobenzenesulfonamide IUPAC Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-propan-2-yloxyphenyl]-4-iodobenzenesulfonamide Traditional Name: N-[5-[(3R,5S)-3,5-dimethylpiperazino]-2-isopropoxy-phenyl]-4-iodo-benzenesulfonamide Formula: C21H28IN3O3S MolecularWeight: 529.43479

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC(=C(C=C2)OC(C)C)NS(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=C(C=C2)OC(C)C)NS(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C21H28IN3O3S/c1-14(2)28-21-10-7-18(25-12-15(3)23-16(4)13-25)11-20(21)24-29(26,27)19-8-5-17(22)6-9-19/h5-11,14-16,23-24H,12-13H2,1-4H3/t15-,16+