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

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-1H-indole-6-carboxylic acid Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-isopropylphenyl)sulfonylamino]-2-oxo-ethyl]-1H-indole-6-carboxylic acid CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-1H-indole-6-carboxylic acid IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-1H-indole-6-carboxylic acid Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(p-cumenylsulfonylamino)ethyl]-1H-indole-6-carboxylic acid Formula: C27H24N2O7S MolecularWeight: 520.55366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(=O)C(C2=CC3=C(C=C2)OCO3)C4=CNC5=C4C=CC(=C5)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(=O)C(C2=CC3=C(C=C2)OCO3)C4=CNC5=C4C=CC(=C5)C(=O)O

InChI

InChI=1S/C27H24N2O7S/c1-15(2)16-3-7-19(8-4-16)37(33,34)29-26(30)25(17-6-10-23-24(12-17)36-14-35-23)21-13-28-22-11-18(27(31)32)5-9-20(21)22/h3-13,15,25,28H,14H2,1-2H3,(H,29,30)(H,31,32)