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

Systemtic Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoate Openeye Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(p-tolylsulfonylamino)ethoxy]-3-propyl-benzoate CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoate Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(tosylamino)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)C4=CC=C(C=C4)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

InChI

InChI=1S/C27H27NO8S/c1-4-5-18-14-20(27(30)33-3)9-12-22(18)36-25(19-8-13-23-24(15-19)35-16-34-23)26(29)28-37(31,32)21-10-6-17(2)7-11-21/h6-15,25H,4-5,16H2,1-3H3,(H,28,29)