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

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)carbonylsulfamoyl]ethyl]-3-propyl-benzoic acid Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylbenzoyl)sulfamoyl]ethyl]-3-propyl-benzoic acid CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-2-[[(4-tert-butylphenyl)-oxomethyl]sulfamoyl]ethyl]-3-propylbenzoic acid IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylbenzoyl)sulfamoyl]ethyl]-3-propylbenzoic acid Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylbenzoyl)sulfamoyl]ethyl]-3-propyl-benzoic acid Formula: C30H33NO7S MolecularWeight: 551.65052

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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)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)C

InChI

InChI=1S/C30H33NO7S/c1-5-6-20-15-23(29(33)34)8-7-21(20)17-27(22-11-14-25-26(16-22)38-18-37-25)39(35,36)31-28(32)19-9-12-24(13-10-19)30(2,3)4/h7-16,27H,5-6,17-18H2,1-4H3,(H,31,32)(H,33,34)