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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H27ClN2O5S MolecularWeight: 418.93538

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O5S/c1-5-14(6-2)20-16(22)11-26-18(23)17(12(3)4)21-27(24,25)15-9-7-13(19)8-10-15/h7-10,12,14,17,21H,5-6,11H2,1-4H3,(H,20,22)/t17-/m0/s1