(phenylmethyl) (2S,3R)-3-(4-bromanylphenoxy)-3-methyl-2-[(2-nitrophenyl)sulfonylamino]pent-4-ynoate

Systemtic Name: (phenylmethyl) (2S,3R)-3-(4-bromanylphenoxy)-3-methyl-2-[(2-nitrophenyl)sulfonylamino]pent-4-ynoate Openeye Name: benzyl (2S,3R)-3-(4-bromophenoxy)-3-methyl-2-[(2-nitrophenyl)sulfonylamino]pent-4-ynoate CAS Name: (2S,3R)-3-(4-bromophenoxy)-3-methyl-2-[(2-nitrophenyl)sulfonylamino]-4-pentynoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-3-(4-bromophenoxy)-3-methyl-2-[(2-nitrophenyl)sulfonylamino]pent-4-ynoate Traditional Name: (2S,3R)-3-(4-bromophenoxy)-3-methyl-2-[(2-nitrophenyl)sulfonylamino]pent-4-ynoic acid benzyl ester Formula: C25H21BrN2O7S MolecularWeight: 573.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)(C(C(=O)OCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@](C#C)([C@@H](C(=O)OCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H21BrN2O7S/c1-3-25(2,35-20-15-13-19(26)14-16-20)23(24(29)34-17-18-9-5-4-6-10-18)27-36(32,33)22-12-8-7-11-21(22)28(30)31/h1,4-16,23,27H,17H2,2H3/t23-,25-/m1/s1