propyl 5-cyano-3-[(2-iodanylphenyl)methyl]-4-methyl-2-piperidin-2-yl-benzenesulfonate

Systemtic Name: propyl 5-cyano-3-[(2-iodanylphenyl)methyl]-4-methyl-2-piperidin-2-yl-benzenesulfonate Openeye Name: propyl 5-cyano-3-[(2-iodophenyl)methyl]-4-methyl-2-(2-piperidyl)benzenesulfonate CAS Name: 5-cyano-3-[(2-iodophenyl)methyl]-4-methyl-2-(2-piperidinyl)benzenesulfonic acid propyl ester IUPAC Name: propyl 5-cyano-3-[(2-iodophenyl)methyl]-4-methyl-2-piperidin-2-ylbenzenesulfonate Traditional Name: 5-cyano-3-(2-iodobenzyl)-4-methyl-2-(2-piperidyl)benzenesulfonic acid propyl ester Formula: C23H27IN2O3S MolecularWeight: 538.44155

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Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)C1=C(C(=C(C(=C1)C#N)C)CC2=CC=CC=C2I)C3CCCCN3

Isomeric SMILES

CCCOS(=O)(=O)C1=C(C(=C(C(=C1)C#N)C)CC2=CC=CC=C2I)C3CCCCN3

InChI

InChI=1S/C23H27IN2O3S/c1-3-12-29-30(27,28)22-14-18(15-25)16(2)19(13-17-8-4-5-9-20(17)24)23(22)21-10-6-7-11-26-21/h4-5,8-9,14,21,26H,3,6-7,10-13H2,1-2H3