[3-(2-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [3-(2-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [3-(2-bromophenoxy)-2-methyl-4-oxo-chromen-7-yl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [3-(2-bromophenoxy)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-bromophenoxy)-2-methyl-4-oxochromen-7-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [3-(2-bromophenoxy)-4-keto-2-methyl-chromen-7-yl] ester Formula: C26H22BrNO7S MolecularWeight: 572.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C)OC4=CC=CC=C4Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C)OC4=CC=CC=C4Br

InChI

InChI=1S/C26H22BrNO7S/c1-15-8-11-19(12-9-15)36(31,32)28-16(2)26(30)34-18-10-13-20-23(14-18)33-17(3)25(24(20)29)35-22-7-5-4-6-21(22)27/h4-14,16,28H,1-3H3/t16-/m0/s1