[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C20H21IN2O6S MolecularWeight: 544.36001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C20H21IN2O6S/c1-14-5-6-17(30(26,27)23-7-9-28-10-8-23)12-18(14)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)