[2-(butylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butyric acid [2-(butylamino)-2-keto-ethyl] ester Formula: C17H25ClN2O5S MolecularWeight: 404.9088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C1=CC(=CC=C1)Cl

Isomeric SMILES

CCCCNC(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C17H25ClN2O5S/c1-4-5-9-19-15(21)11-25-17(22)16(12(2)3)20-26(23,24)14-8-6-7-13(18)10-14/h6-8,10,12,16,20H,4-5,9,11H2,1-3H3,(H,19,21)/t16-/m0/s1