[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H25BrN2O5S/c1-14(2)20(24-30(27,28)18-10-8-17(22)9-11-18)21(26)29-13-19(25)23-12-16-7-5-4-6-15(16)3/h4-11,14,20,24H,12-13H2,1-3H3,(H,23,25)/t20-/m0/s1