[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O6S/c1-4-28-17-12-10-16(11-13-17)22-19(24)14-29-21(25)20(15(2)3)23-30(26,27)18-8-6-5-7-9-18/h5-13,15,20,23H,4,14H2,1-3H3,(H,22,24)/t20-/m0/s1