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

Systemtic Name: [2-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-(2-morpholino-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-keto-2-(2-morpholino-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C23H26IN3O7S MolecularWeight: 615.43791

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)C4=CC=C(C=C4)I

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C23H26IN3O7S/c24-18-3-1-17(2-4-18)23(29)34-16-22(28)25-20-15-19(35(30,31)27-9-13-33-14-10-27)5-6-21(20)26-7-11-32-12-8-26/h1-6,15H,7-14,16H2,(H,25,28)