[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C20H21IN2O6S MolecularWeight: 544.36001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)I)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)I)S(=O)(=O)N3CCOCC3

InChI

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