butoxycarbonyl 2-(methylamino)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoate

Systemtic Name: butoxycarbonyl 2-(methylamino)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoate Openeye Name: butoxycarbonyl 2-(methylamino)-3-[1-(p-tolylsulfonyl)imidazol-4-yl]propanoate CAS Name: 2-(methylamino)-3-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]propanoic acid [butoxy(oxo)methyl] ester IUPAC Name: butoxycarbonyl 2-(methylamino)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoate Traditional Name: 2-(methylamino)-3-(1-tosylimidazol-4-yl)propionic acid butoxycarbonyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC(=O)C(CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C=C2)C)NC

Isomeric SMILES

CCCCOC(=O)OC(=O)C(CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C=C2)C)NC

InChI

InChI=1S/C19H25N3O6S/c1-4-5-10-27-19(24)28-18(23)17(20-3)11-15-12-22(13-21-15)29(25,26)16-8-6-14(2)7-9-16/h6-9,12-13,17,20H,4-5,10-11H2,1-3H3