3,3-bis(1,3-benzodioxol-5-yl)-2-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid Openeye Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-[(4-isopropylphenyl)sulfonylamino]propanoic acid CAS Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid Traditional Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-(p-cumenylsulfonylamino)propionic acid Formula: C26H25NO8S MolecularWeight: 511.5436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C26H25NO8S/c1-15(2)16-3-7-19(8-4-16)36(30,31)27-25(26(28)29)24(17-5-9-20-22(11-17)34-13-32-20)18-6-10-21-23(12-18)35-14-33-21/h3-12,15,24-25,27H,13-14H2,1-2H3,(H,28,29)