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

Systemtic Name: (2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-propylindol-3-yl)propanoic acid Openeye Name: (2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-propylindol-3-yl)propanoic acid CAS Name: (2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-propyl-3-indolyl)propanoic acid IUPAC Name: (2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-propylindol-3-yl)propanoic acid Traditional Name: (2S)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-propylindol-3-yl)propionic acid Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C24H26N2O5S/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/h6-13,17,22,25H,4,14-16H2,1-2H3,(H,27,28)/t22-/m0/s1