methyl 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-(quinolin-8-ylsulfonylamino)ethoxy]-3-propyl-benzoate

Systemtic Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-(quinolin-8-ylsulfonylamino)ethoxy]-3-propyl-benzoate Openeye Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(8-quinolylsulfonylamino)ethoxy]-3-propyl-benzoate CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(8-quinolinylsulfonylamino)ethoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(quinolin-8-ylsulfonylamino)ethoxy]-3-propylbenzoate Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(8-quinolylsulfonylamino)ethoxy]-3-propyl-benzoic acid methyl ester Formula: C29H26N2O8S MolecularWeight: 562.59034

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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=CC5=C4N=CC=C5

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OC)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H26N2O8S/c1-3-6-19-15-21(29(33)36-2)11-12-22(19)39-27(20-10-13-23-24(16-20)38-17-37-23)28(32)31-40(34,35)25-9-4-7-18-8-5-14-30-26(18)25/h4-5,7-16,27H,3,6,17H2,1-2H3,(H,31,32)