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

Systemtic Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoate Openeye Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-(o-tolylsulfonylamino)-2-oxo-ethoxy]-3-propyl-benzoate CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoate Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(o-tolylsulfonylamino)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=CC=C4C

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=C4C

InChI

InChI=1S/C27H27NO8S/c1-4-7-18-14-20(27(30)33-3)11-12-21(18)36-25(19-10-13-22-23(15-19)35-16-34-22)26(29)28-37(31,32)24-9-6-5-8-17(24)2/h5-6,8-15,25H,4,7,16H2,1-3H3,(H,28,29)