(2R)-3-(5-methyl-1H-indol-3-yl)-2-[(4-prop-2-ynoxyphenyl)sulfonylamino]propanoic acid

Systemtic Name: (2R)-3-(5-methyl-1H-indol-3-yl)-2-[(4-prop-2-ynoxyphenyl)sulfonylamino]propanoic acid Openeye Name: (2R)-3-(5-methyl-1H-indol-3-yl)-2-[(4-prop-2-ynoxyphenyl)sulfonylamino]propanoic acid CAS Name: (2R)-3-(5-methyl-1H-indol-3-yl)-2-[(4-prop-2-ynoxyphenyl)sulfonylamino]propanoic acid IUPAC Name: (2R)-3-(5-methyl-1H-indol-3-yl)-2-[(4-prop-2-ynoxyphenyl)sulfonylamino]propanoic acid Traditional Name: (2R)-3-(5-methyl-1H-indol-3-yl)-2-[(4-propargyloxyphenyl)sulfonylamino]propionic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC#C

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C[C@H](C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC#C

InChI

InChI=1S/C21H20N2O5S/c1-3-10-28-16-5-7-17(8-6-16)29(26,27)23-20(21(24)25)12-15-13-22-19-9-4-14(2)11-18(15)19/h1,4-9,11,13,20,22-23H,10,12H2,2H3,(H,24,25)/t20-/m1/s1