methyl 6-iodanyl-4-(phenylsulfonyl)spiro[2H-1,4-benzoxazine-3,1'-cyclopropane]-2-carboxylate

Systemtic Name: methyl 6-iodanyl-4-(phenylsulfonyl)spiro[2H-1,4-benzoxazine-3,1'-cyclopropane]-2-carboxylate Openeye Name: methyl 4-(benzenesulfonyl)-6-iodo-spiro[2H-1,4-benzoxazine-3,1'-cyclopropane]-2-carboxylate CAS Name: 4-(benzenesulfonyl)-6-iodo-2-spiro[2H-1,4-benzoxazine-3,1'-cyclopropane]carboxylic acid methyl ester IUPAC Name: methyl 4-(benzenesulfonyl)-6-iodospiro[2H-1,4-benzoxazine-3,1'-cyclopropane]-2-carboxylate Traditional Name: 4-besyl-6-iodo-spiro[2H-1,4-benzoxazine-3,1'-cyclopropane]-2-carboxylic acid methyl ester Formula: C18H16INO5S MolecularWeight: 485.29281

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2(CC2)N(C3=C(O1)C=CC(=C3)I)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1C2(CC2)N(C3=C(O1)C=CC(=C3)I)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H16INO5S/c1-24-17(21)16-18(9-10-18)20(14-11-12(19)7-8-15(14)25-16)26(22,23)13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3