[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H23IN2O6S MolecularWeight: 558.38659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NC3=C(C=C(C=C3)I)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NC3=C(C=C(C=C3)I)C

InChI

InChI=1S/C21H23IN2O6S/c1-14-3-5-17(31(27,28)24-7-9-29-10-8-24)12-18(14)21(26)30-13-20(25)23-19-6-4-16(22)11-15(19)2/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,25)