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

Systemtic Name: 3,3-bis(1,3-benzodioxol-5-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid Openeye Name: 3,3-bis(1,3-benzodioxol-5-yl)-3-[(4-isopropylphenyl)sulfonylamino]propanoic acid CAS Name: 3,3-bis(1,3-benzodioxol-5-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3,3-bis(1,3-benzodioxol-5-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid Traditional Name: 3,3-bis(1,3-benzodioxol-5-yl)-3-(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(CC(=O)O)(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

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

InChI

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