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

Systemtic Name: (2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-prop-2-enylindol-3-yl)propanoic acid Openeye Name: (2S)-3-(1-allylindol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid CAS Name: (2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-prop-2-enyl-3-indolyl)propanoic acid IUPAC Name: (2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-prop-2-enylindol-3-yl)propanoic acid Traditional Name: (2S)-3-(1-allylindol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propionic acid Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=CC=CC=C32)CC=C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CN(C3=CC=CC=C32)CC=C)C(=O)O

InChI

InChI=1S/C24H24N2O5S/c1-3-5-15-31-19-10-12-20(13-11-19)32(29,30)25-22(24(27)28)16-18-17-26(14-4-2)23-9-7-6-8-21(18)23/h4,6-13,17,22,25H,2,14-16H2,1H3,(H,27,28)/t22-/m0/s1