[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butyric acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H32N2O5S MolecularWeight: 412.54348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C1=CC(=C(C=C1)C)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC(=C(C=C1)C)C

InChI

InChI=1S/C20H32N2O5S/c1-7-16(8-2)21-18(23)12-27-20(24)19(13(3)4)22-28(25,26)17-10-9-14(5)15(6)11-17/h9-11,13,16,19,22H,7-8,12H2,1-6H3,(H,21,23)/t19-/m0/s1