(2S)-3-(1H-indol-3-yl)-2-[methyl-(2-nitrophenyl)sulfonyl-amino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[methyl-(2-nitrophenyl)sulfonyl-amino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[methyl-(2-nitrophenyl)sulfonyl-amino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[methyl-(2-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[methyl-(2-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[methyl-(2-nitrophenyl)sulfonyl-amino]propionic acid Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CNC2=CC=CC=C21)C(=O)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN([C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S/c1-20(28(26,27)17-9-5-4-8-15(17)21(24)25)16(18(22)23)10-12-11-19-14-7-3-2-6-13(12)14/h2-9,11,16,19H,10H2,1H3,(H,22,23)/t16-/m0/s1