methyl (2S)-2-[(5-bromanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methyl-(phenylsulfonyl)amino]propanoate

Systemtic Name: methyl (2S)-2-[(5-bromanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methyl-(phenylsulfonyl)amino]propanoate Openeye Name: methyl (2S)-2-[benzenesulfonyl-[(5-bromo-2-morpholino-thiazol-4-yl)methyl]amino]propanoate CAS Name: (2S)-2-[benzenesulfonyl-[[5-bromo-2-(4-morpholinyl)-4-thiazolyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzenesulfonyl-[(5-bromo-2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]amino]propanoate Traditional Name: (2S)-2-[besyl-[(5-bromo-2-morpholino-thiazol-4-yl)methyl]amino]propionic acid methyl ester Formula: C18H22BrN3O5S2 MolecularWeight: 504.41838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(CC1=C(SC(=N1)N2CCOCC2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OC)N(CC1=C(SC(=N1)N2CCOCC2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22BrN3O5S2/c1-13(17(23)26-2)22(29(24,25)14-6-4-3-5-7-14)12-15-16(19)28-18(20-15)21-8-10-27-11-9-21/h3-7,13H,8-12H2,1-2H3/t13-/m0/s1