N-(4-iodanyl-2-methyl-phenyl)isoquinoline-5-sulfonamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)isoquinoline-5-sulfonamide Openeye Name: N-(4-iodo-2-methyl-phenyl)isoquinoline-5-sulfonamide CAS Name: N-(4-iodo-2-methylphenyl)-5-isoquinolinesulfonamide IUPAC Name: N-(4-iodo-2-methylphenyl)isoquinoline-5-sulfonamide Traditional Name: N-(4-iodo-2-methyl-phenyl)isoquinoline-5-sulfonamide Formula: C16H13IN2O2S MolecularWeight: 424.25609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C16H13IN2O2S/c1-11-9-13(17)5-6-15(11)19-22(20,21)16-4-2-3-12-10-18-8-7-14(12)16/h2-10,19H,1H3