[2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: [2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: [2-oxo-2-(4-sec-butylphenyl)ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(4-butan-2-ylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylphenyl)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-keto-2-(4-sec-butylphenyl)ethyl] ester Formula: C27H27NO7S MolecularWeight: 509.57078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

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