[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl] (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid [2-(4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl] (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid [2-(4-chloroanilino)-2-keto-ethyl] ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H23ClN2O7S/c1-13(2)20(21(26)31-12-19(25)23-15-5-3-14(22)4-6-15)24-32(27,28)16-7-8-17-18(11-16)30-10-9-29-17/h3-8,11,13,20,24H,9-10,12H2,1-2H3,(H,23,25)/t20-/m1/s1