2-[1-[2,3,6-tri(propan-2-yl)phenyl]sulfonylindol-3-yl]propanoic acid

Systemtic Name: 2-[1-[2,3,6-tri(propan-2-yl)phenyl]sulfonylindol-3-yl]propanoic acid Openeye Name: 2-[1-(2,3,6-triisopropylphenyl)sulfonylindol-3-yl]propanoic acid CAS Name: 2-[1-[2,3,6-tri(propan-2-yl)phenyl]sulfonyl-3-indolyl]propanoic acid IUPAC Name: 2-[1-[2,3,6-tri(propan-2-yl)phenyl]sulfonylindol-3-yl]propanoic acid Traditional Name: 2-[1-(2,3,6-triisopropylphenyl)sulfonylindol-3-yl]propionic acid Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C=C1)C(C)C)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C)C(=O)O)C(C)C

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1)C(C)C)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C)C(=O)O)C(C)C

InChI

InChI=1S/C26H33NO4S/c1-15(2)19-12-13-20(16(3)4)25(24(19)17(5)6)32(30,31)27-14-22(18(7)26(28)29)21-10-8-9-11-23(21)27/h8-18H,1-7H3,(H,28,29)