(2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H20N2O5S/c1-2-3-12-28-16-8-10-17(11-9-16)29(26,27)23-20(21(24)25)13-15-14-22-19-7-5-4-6-18(15)19/h4-11,14,20,22-23H,12-13H2,1H3,(H,24,25)/t20-/m0/s1