4-ethylsulfonyl-N-(4-iodanyl-2-methyl-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-ethylsulfonyl-N-(4-iodanyl-2-methyl-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-(4-iodo-2-methyl-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-(4-iodo-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-ethylsulfonyl-N-(4-iodo-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-(4-iodo-2-methyl-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H19IN2O4S MolecularWeight: 486.32393

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)I)C

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)I)C

InChI

InChI=1S/C18H19IN2O4S/c1-3-26(23,24)21-11-17(25-16-7-5-4-6-15(16)21)18(22)20-14-9-8-13(19)10-12(14)2/h4-10,17H,3,11H2,1-2H3,(H,20,22)