4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(phenylmethyl)sulfonylamino]ethoxy]-3-propyl-benzoic acid

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(phenylmethyl)sulfonylamino]ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-(benzylsulfonylamino)-2-oxo-ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(phenylmethyl)sulfonylamino]ethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-(benzylsulfonylamino)-2-oxoethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-(benzylsulfonylamino)-2-keto-ethoxy]-3-propyl-benzoic acid Formula: C26H25NO8S MolecularWeight: 511.5436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)O)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H25NO8S/c1-2-6-18-13-20(26(29)30)10-11-21(18)35-24(19-9-12-22-23(14-19)34-16-33-22)25(28)27-36(31,32)15-17-7-4-3-5-8-17/h3-5,7-14,24H,2,6,15-16H2,1H3,(H,27,28)(H,29,30)