3-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-1-ethyl-indole-6-carboxylic acid

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-1-ethyl-indole-6-carboxylic acid Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-isopropylphenyl)sulfonylamino]-2-oxo-ethyl]-1-ethyl-indole-6-carboxylic acid CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-1-ethyl-6-indolecarboxylic acid IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-1-ethylindole-6-carboxylic acid Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(p-cumenylsulfonylamino)ethyl]-1-ethyl-indole-6-carboxylic acid Formula: C29H28N2O7S MolecularWeight: 548.60682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C3=CC4=C(C=C3)OCO4)C(=O)NS(=O)(=O)C5=CC=C(C=C5)C(C)C

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C3=CC4=C(C=C3)OCO4)C(=O)NS(=O)(=O)C5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C29H28N2O7S/c1-4-31-15-23(22-11-7-20(29(33)34)13-24(22)31)27(19-8-12-25-26(14-19)38-16-37-25)28(32)30-39(35,36)21-9-5-18(6-10-21)17(2)3/h5-15,17,27H,4,16H2,1-3H3,(H,30,32)(H,33,34)