4-[2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]benzoic acid

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]benzoic acid Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)-3-[(4-isopropylphenyl)sulfonylamino]-3-oxo-propyl]benzoic acid CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]benzoic acid IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]benzoic acid Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-3-keto-3-(p-cumenylsulfonylamino)propyl]benzoic acid Formula: C26H25NO7S MolecularWeight: 495.5442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(=O)C(CC2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(=O)C(CC2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H25NO7S/c1-16(2)18-7-10-21(11-8-18)35(31,32)27-25(28)22(13-17-3-5-19(6-4-17)26(29)30)20-9-12-23-24(14-20)34-15-33-23/h3-12,14,16,22H,13,15H2,1-2H3,(H,27,28)(H,29,30)