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

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]-3-propyl-benzoic acid Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)-3-[(4-isopropylphenyl)sulfonylamino]-3-oxo-propyl]-3-propyl-benzoic acid CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]-3-propylbenzoic acid IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]-3-propylbenzoic acid Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-3-keto-3-(p-cumenylsulfonylamino)propyl]-3-propyl-benzoic acid Formula: C29H31NO7S MolecularWeight: 537.62394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)O)CC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)CC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C29H31NO7S/c1-4-5-20-14-23(29(32)33)7-6-21(20)15-25(22-10-13-26-27(16-22)37-17-36-26)28(31)30-38(34,35)24-11-8-19(9-12-24)18(2)3/h6-14,16,18,25H,4-5,15,17H2,1-3H3,(H,30,31)(H,32,33)