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

Systemtic Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(phenylmethyl)sulfonylamino]ethoxy]-3-propyl-benzoate Openeye Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-(benzylsulfonylamino)-2-oxo-ethoxy]-3-propyl-benzoate CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(phenylmethyl)sulfonylamino]ethoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-(benzylsulfonylamino)-2-oxoethoxy]-3-propylbenzoate Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-(benzylsulfonylamino)-2-keto-ethoxy]-3-propyl-benzoic acid methyl ester Formula: C27H27NO8S MolecularWeight: 525.57018

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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)CC4=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)CC4=CC=CC=C4

InChI

InChI=1S/C27H27NO8S/c1-3-7-19-14-21(27(30)33-2)11-12-22(19)36-25(20-10-13-23-24(15-20)35-17-34-23)26(29)28-37(31,32)16-18-8-5-4-6-9-18/h4-6,8-15,25H,3,7,16-17H2,1-2H3,(H,28,29)