[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-mesyl-butyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H19ClN2O6S MolecularWeight: 414.86056

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OCC(=O)NCC#C)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)NCC#C)NC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C17H19ClN2O6S/c1-3-9-19-15(21)11-26-17(23)14(8-10-27(2,24)25)20-16(22)12-4-6-13(18)7-5-12/h1,4-7,14H,8-11H2,2H3,(H,19,21)(H,20,22)/t14-/m0/s1