dipotassium 4-[2-(1,3-benzodioxol-5-yl)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]oxy-3-propyl-benzoate

Systemtic Name: dipotassium 4-[2-(1,3-benzodioxol-5-yl)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]oxy-3-propyl-benzoate Openeye Name: dipotassium 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-isopropylphenyl)sulfonylamino]-1-methyl-2-oxo-ethoxy]-3-propyl-benzoate CAS Name: dipotassium 4-[2-(1,3-benzodioxol-5-yl)-1-oxo-1-[(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]oxy-3-propylbenzoate IUPAC Name: dipotassium 4-[2-(1,3-benzodioxol-5-yl)-1-oxo-1-[(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]oxy-3-propylbenzoate Traditional Name: dipotassium 4-[1-(1,3-benzodioxol-5-yl)-2-keto-1-methyl-2-(p-cumenylsulfonylamino)ethoxy]-3-propyl-benzoate Formula: C58H60K2N2O16S2 MolecularWeight: 1183.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)[O-])OC(C)(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C.CCCC1=C(C=CC(=C1)C(=O)[O-])OC(C)(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C.[K+].[K+]

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)[O-])OC(C)(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C.CCCC1=C(C=CC(=C1)C(=O)[O-])OC(C)(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C.[K+].[K+]

InChI

InChI=1S/2C29H31NO8S.2K/c2*1-5-6-20-15-21(27(31)32)9-13-24(20)38-29(4,22-10-14-25-26(16-22)37-17-36-25)28(33)30-39(34,35)23-11-7-19(8-12-23)18(2)3;;/h2*7-16,18H,5-6,17H2,1-4H3,(H,30,33)(H,31,32);;/q;;2*+1/p-2