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

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H26N2O7S/c1-14(2)21(22(26)31-13-20(25)23-17-7-5-4-6-15(17)3)24-32(27,28)16-8-9-18-19(12-16)30-11-10-29-18/h4-9,12,14,21,24H,10-11,13H2,1-3H3,(H,23,25)/t21-/m0/s1