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2-(2,3-dihydro-1H-inden-5-yl)-3-[(4-octylphenyl)sulfonylamino]propanoic acid
2-(2,3-dihydro-1H-inden-5-yl)-3-[(4-octylphenyl)sulfonylamino]propanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC3=C(CCC3)C=C2)C(=O)O
Isomeric SMILES
CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC3=C(CCC3)C=C2)C(=O)O
InChI
InChI=1S/C26H35NO4S/c1-2-3-4-5-6-7-9-20-12-16-24(17-13-20)32(30,31)27-19-25(26(28)29)23-15-14-21-10-8-11-22(21)18-23/h12-18,25,27H,2-11,19H2,1H3,(H,28,29)
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