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

Systemtic Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-(phenylsulfonylamino)ethoxy]-3-propyl-benzoate Openeye Name: methyl 4-[2-(benzenesulfonamido)-1-(1,3-benzodioxol-5-yl)-2-oxo-ethoxy]-3-propyl-benzoate CAS Name: 4-[2-(benzenesulfonamido)-1-(1,3-benzodioxol-5-yl)-2-oxoethoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[2-(benzenesulfonamido)-1-(1,3-benzodioxol-5-yl)-2-oxoethoxy]-3-propylbenzoate Traditional Name: 4-[2-(benzenesulfonamido)-1-(1,3-benzodioxol-5-yl)-2-keto-ethoxy]-3-propyl-benzoic acid methyl ester Formula: C26H25NO8S MolecularWeight: 511.5436

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO8S/c1-3-7-17-14-19(26(29)32-2)11-12-21(17)35-24(18-10-13-22-23(15-18)34-16-33-22)25(28)27-36(30,31)20-8-5-4-6-9-20/h4-6,8-15,24H,3,7,16H2,1-2H3,(H,27,28)