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

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]benzoate Openeye Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-3-[(4-isopropylphenyl)sulfonylamino]-3-oxo-propyl]benzoate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]benzoate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-3-keto-3-(p-cumenylsulfonylamino)propyl]benzoic acid methyl ester Formula: C27H27NO7S MolecularWeight: 509.57078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(=O)C(CC2=CC=C(C=C2)C(=O)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(=O)C(CC2=CC=C(C=C2)C(=O)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H27NO7S/c1-17(2)19-8-11-22(12-9-19)36(31,32)28-26(29)23(21-10-13-24-25(15-21)35-16-34-24)14-18-4-6-20(7-5-18)27(30)33-3/h4-13,15,17,23H,14,16H2,1-3H3,(H,28,29)