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

Systemtic Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethoxy-phenyl]-4-iodanyl-benzenesulfonamide Openeye Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethoxy-phenyl]-4-iodo-benzenesulfonamide CAS Name: N-[5-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-2-ethoxyphenyl]-4-iodobenzenesulfonamide IUPAC Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethoxyphenyl]-4-iodobenzenesulfonamide Traditional Name: N-[5-[(3S,5R)-3,5-dimethylpiperazino]-2-ethoxy-phenyl]-4-iodo-benzenesulfonamide Formula: C20H26IN3O3S MolecularWeight: 515.40821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)N2CC(NC(C2)C)C)NS(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CCOC1=C(C=C(C=C1)N2C[C@H](N[C@H](C2)C)C)NS(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C20H26IN3O3S/c1-4-27-20-10-7-17(24-12-14(2)22-15(3)13-24)11-19(20)23-28(25,26)18-8-5-16(21)6-9-18/h5-11,14-15,22-23H,4,12-13H2,1-3H3/t14-,15+