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

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-2-[(4-propan-2-ylphenyl)carbonylsulfamoyl]ethyl]-3-propyl-benzoic acid Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)-2-[(4-isopropylbenzoyl)sulfamoyl]ethyl]-3-propyl-benzoic acid CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-2-[[oxo-(4-propan-2-ylphenyl)methyl]sulfamoyl]ethyl]-3-propylbenzoic acid IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-2-[(4-propan-2-ylbenzoyl)sulfamoyl]ethyl]-3-propylbenzoic acid Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-2-(cumoylsulfamoyl)ethyl]-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)S(=O)(=O)NC(=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)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C(C)C

InChI

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