[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C20H21IN2O6S MolecularWeight: 544.36001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)I)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)I)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21IN2O6S/c1-14-2-3-15(12-18(14)30(26,27)23-8-10-28-11-9-23)20(25)29-13-19(24)22-17-6-4-16(21)5-7-17/h2-7,12H,8-11,13H2,1H3,(H,22,24)