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

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-isopropylphenyl)sulfonylamino]-2-oxo-ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(p-cumenylsulfonylamino)ethyl]-1-methyl-indole-6-carboxylic acid Formula: C28H26N2O7S MolecularWeight: 534.58024

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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=CN(C5=C4C=CC(=C5)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O7S/c1-16(2)17-4-8-20(9-5-17)38(34,35)29-27(31)26(18-7-11-24-25(13-18)37-15-36-24)22-14-30(3)23-12-19(28(32)33)6-10-21(22)23/h4-14,16,26H,15H2,1-3H3,(H,29,31)(H,32,33)