(2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-pentylindol-3-yl)propanoic acid

Systemtic Name: (2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-pentylindol-3-yl)propanoic acid Openeye Name: (2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-pentylindol-3-yl)propanoic acid CAS Name: (2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-pentyl-3-indolyl)propanoic acid IUPAC Name: (2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-pentylindol-3-yl)propanoic acid Traditional Name: (2R)-3-(1-amylindol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propionic acid Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C2=CC=CC=C21)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCCCCN1C=C(C2=CC=CC=C21)C[C@H](C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C26H30N2O5S/c1-3-5-9-16-28-19-20(23-10-7-8-11-25(23)28)18-24(26(29)30)27-34(31,32)22-14-12-21(13-15-22)33-17-6-4-2/h7-8,10-15,19,24,27H,3,5,9,16-18H2,1-2H3,(H,29,30)/t24-/m1/s1