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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-mesyl-butyric acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C17H21ClN2O6S MolecularWeight: 416.87644

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OCC(=O)NC1CC1)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)NC1CC1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H21ClN2O6S/c1-27(24,25)9-8-14(17(23)26-10-15(21)19-13-6-7-13)20-16(22)11-2-4-12(18)5-3-11/h2-5,13-14H,6-10H2,1H3,(H,19,21)(H,20,22)/t14-/m0/s1