[2-(aminomethyl)-4-tert-butyl-6-iodanyl-phenyl] benzenesulfonate

Systemtic Name: [2-(aminomethyl)-4-tert-butyl-6-iodanyl-phenyl] benzenesulfonate Openeye Name: [2-(aminomethyl)-4-tert-butyl-6-iodo-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(aminomethyl)-4-tert-butyl-6-iodophenyl] ester IUPAC Name: [2-(aminomethyl)-4-tert-butyl-6-iodophenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(aminomethyl)-4-tert-butyl-6-iodo-phenyl] ester Formula: C17H20INO3S MolecularWeight: 445.31507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)I)OS(=O)(=O)C2=CC=CC=C2)CN

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)I)OS(=O)(=O)C2=CC=CC=C2)CN

InChI

InChI=1S/C17H20INO3S/c1-17(2,3)13-9-12(11-19)16(15(18)10-13)22-23(20,21)14-7-5-4-6-8-14/h4-10H,11,19H2,1-3H3