2-azanyl-N-(3-iodanyl-4-methyl-phenyl)-4-methylsulfonyl-butanamide

Systemtic Name: 2-azanyl-N-(3-iodanyl-4-methyl-phenyl)-4-methylsulfonyl-butanamide Openeye Name: 2-amino-N-(3-iodo-4-methyl-phenyl)-4-methylsulfonyl-butanamide CAS Name: 2-amino-N-(3-iodo-4-methylphenyl)-4-methylsulfonylbutanamide IUPAC Name: 2-amino-N-(3-iodo-4-methylphenyl)-4-methylsulfonylbutanamide Traditional Name: 2-amino-N-(3-iodo-4-methyl-phenyl)-4-mesyl-butyramide Formula: C12H17IN2O3S MolecularWeight: 396.24445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCS(=O)(=O)C)N)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(CCS(=O)(=O)C)N)I

InChI

InChI=1S/C12H17IN2O3S/c1-8-3-4-9(7-10(8)13)15-12(16)11(14)5-6-19(2,17)18/h3-4,7,11H,5-6,14H2,1-2H3,(H,15,16)