1-(2-iodanylphenyl)-N-methyl-N-(3-methylsulfonylpropyl)isoquinoline-3-carboxamide

Systemtic Name: 1-(2-iodanylphenyl)-N-methyl-N-(3-methylsulfonylpropyl)isoquinoline-3-carboxamide Openeye Name: 1-(2-iodophenyl)-N-methyl-N-(3-methylsulfonylpropyl)isoquinoline-3-carboxamide CAS Name: 1-(2-iodophenyl)-N-methyl-N-(3-methylsulfonylpropyl)-3-isoquinolinecarboxamide IUPAC Name: 1-(2-iodophenyl)-N-methyl-N-(3-methylsulfonylpropyl)isoquinoline-3-carboxamide Traditional Name: 1-(2-iodophenyl)-N-(3-mesylpropyl)-N-methyl-isoquinoline-3-carboxamide Formula: C21H21IN2O3S MolecularWeight: 508.37251

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCS(=O)(=O)C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3I

Isomeric SMILES

CN(CCCS(=O)(=O)C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3I

InChI

InChI=1S/C21H21IN2O3S/c1-24(12-7-13-28(2,26)27)21(25)19-14-15-8-3-4-9-16(15)20(23-19)17-10-5-6-11-18(17)22/h3-6,8-11,14H,7,12-13H2,1-2H3