[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C23H27BrN2O7S MolecularWeight: 555.43868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)Br

InChI

InChI=1S/C23H27BrN2O7S/c1-16-6-8-19(18(24)13-16)26-22(27)15-33-23(28)5-3-2-4-10-25-34(29,30)17-7-9-20-21(14-17)32-12-11-31-20/h6-9,13-14,25H,2-5,10-12,15H2,1H3,(H,26,27)