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

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-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-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-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-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H25ClN2O7S MolecularWeight: 496.9611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NCC1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H25ClN2O7S/c1-14(2)21(22(27)32-13-20(26)24-12-15-3-5-16(23)6-4-15)25-33(28,29)17-7-8-18-19(11-17)31-10-9-30-18/h3-8,11,14,21,25H,9-10,12-13H2,1-2H3,(H,24,26)/t21-/m1/s1