[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)NC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C19H30N2O5S/c1-6-7-12-27(24,25)21-14(2)18(23)26-13-17(22)20-16-10-8-15(9-11-16)19(3,4)5/h8-11,14,21H,6-7,12-13H2,1-5H3,(H,20,22)/t14-/m0/s1