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

Systemtic Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxycarbonylphenyl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoate Openeye Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxycarbonylphenyl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-benzoate CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxycarbonylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxycarbonylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoate Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-carbomethoxyphenyl)sulfonylamino]-2-keto-ethoxy]-3-propyl-benzoic acid methyl ester Formula: C28H27NO10S MolecularWeight: 569.57968

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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(=O)OC

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(=O)OC

InChI

InChI=1S/C28H27NO10S/c1-4-7-17-14-19(27(31)35-2)11-12-21(17)39-25(18-10-13-22-23(15-18)38-16-37-22)26(30)29-40(33,34)24-9-6-5-8-20(24)28(32)36-3/h5-6,8-15,25H,4,7,16H2,1-3H3,(H,29,30)