[2-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: [2-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: [2-(2-morpholino-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic 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] 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid [2-keto-2-(2-morpholino-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C28H30BrN3O7S2 MolecularWeight: 664.5877

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)CSC4=C(C5=CC=CC=C5C=C4)Br

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)CSC4=C(C5=CC=CC=C5C=C4)Br

InChI

InChI=1S/C28H30BrN3O7S2/c29-28-22-4-2-1-3-20(22)5-8-25(28)40-19-27(34)39-18-26(33)30-23-17-21(41(35,36)32-11-15-38-16-12-32)6-7-24(23)31-9-13-37-14-10-31/h1-8,17H,9-16,18-19H2,(H,30,33)