methyl 3-[1-(phenylsulfonyl)imidazol-4-yl]-2-[phenylsulfonyl(prop-2-ynyl)amino]propanoate

Systemtic Name: methyl 3-[1-(phenylsulfonyl)imidazol-4-yl]-2-[phenylsulfonyl(prop-2-ynyl)amino]propanoate Openeye Name: methyl 3-[1-(benzenesulfonyl)imidazol-4-yl]-2-[benzenesulfonyl(prop-2-ynyl)amino]propanoate CAS Name: 3-[1-(benzenesulfonyl)-4-imidazolyl]-2-[benzenesulfonyl(prop-2-ynyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(benzenesulfonyl)imidazol-4-yl]-2-[benzenesulfonyl(prop-2-ynyl)amino]propanoate Traditional Name: 3-(1-besylimidazol-4-yl)-2-[besyl(propargyl)amino]propionic acid methyl ester Formula: C22H21N3O6S2 MolecularWeight: 487.54864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C=N1)S(=O)(=O)C2=CC=CC=C2)N(CC#C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CN(C=N1)S(=O)(=O)C2=CC=CC=C2)N(CC#C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O6S2/c1-3-14-25(33(29,30)20-12-8-5-9-13-20)21(22(26)31-2)15-18-16-24(17-23-18)32(27,28)19-10-6-4-7-11-19/h1,4-13,16-17,21H,14-15H2,2H3