(2R)-3-(1H-indol-3-yl)-2-[[4-[2-(4-methoxyphenyl)ethynyl]-3-nitro-phenyl]sulfonylamino]propanoic acid

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-[[4-[2-(4-methoxyphenyl)ethynyl]-3-nitro-phenyl]sulfonylamino]propanoic acid Openeye Name: (2R)-3-(1H-indol-3-yl)-2-[[4-[2-(4-methoxyphenyl)ethynyl]-3-nitro-phenyl]sulfonylamino]propanoic acid CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[4-[2-(4-methoxyphenyl)ethynyl]-3-nitrophenyl]sulfonylamino]propanoic acid IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-[[4-[2-(4-methoxyphenyl)ethynyl]-3-nitrophenyl]sulfonylamino]propanoic acid Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[4-[2-(4-methoxyphenyl)ethynyl]-3-nitro-phenyl]sulfonylamino]propionic acid Formula: C26H21N3O7S MolecularWeight: 519.52584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=C(C=C(C=C2)S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=C(C=C(C=C2)S(=O)(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C26H21N3O7S/c1-36-20-11-7-17(8-12-20)6-9-18-10-13-21(15-25(18)29(32)33)37(34,35)28-24(26(30)31)14-19-16-27-23-5-3-2-4-22(19)23/h2-5,7-8,10-13,15-16,24,27-28H,14H2,1H3,(H,30,31)/t24-/m1/s1