N-(3-iodanyl-4-methyl-phenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-(3-iodo-4-methylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-(3-iodo-4-methylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C18H19IN2O3S MolecularWeight: 470.32453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)I

InChI

InChI=1S/C18H19IN2O3S/c1-12-5-7-15(11-16(12)19)20-18(22)14-6-8-17-13(10-14)4-3-9-21(17)25(2,23)24/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)