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

Systemtic Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propyl-benzoate Openeye Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-isopropylphenyl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-benzoate CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]ethoxy]-3-propylbenzoate Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(p-cumenylsulfonylamino)ethoxy]-3-propyl-benzoic acid methyl ester Formula: C29H31NO8S MolecularWeight: 553.62334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)OC)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OC)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C29H31NO8S/c1-5-6-20-15-22(29(32)35-4)10-13-24(20)38-27(21-9-14-25-26(16-21)37-17-36-25)28(31)30-39(33,34)23-11-7-19(8-12-23)18(2)3/h7-16,18,27H,5-6,17H2,1-4H3,(H,30,31)