[2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-4-mesyl-2-(m-toluoylamino)butyric acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)OCC(=O)N(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)OCC(=O)N(C)C

InChI

InChI=1S/C17H24N2O6S/c1-12-6-5-7-13(10-12)16(21)18-14(8-9-26(4,23)24)17(22)25-11-15(20)19(2)3/h5-7,10,14H,8-9,11H2,1-4H3,(H,18,21)/t14-/m0/s1