tert-butyl (2S)-2-[[4-(4-cyanophenyl)phenyl]sulfonylamino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[4-(4-cyanophenyl)phenyl]sulfonylamino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[4-(4-cyanophenyl)phenyl]sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(4-cyanophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(4-cyanophenyl)phenyl]sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(4-cyanophenyl)phenyl]sulfonylamino]-3-methyl-butyric acid tert-butyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H26N2O4S/c1-15(2)20(21(25)28-22(3,4)5)24-29(26,27)19-12-10-18(11-13-19)17-8-6-16(14-23)7-9-17/h6-13,15,20,24H,1-5H3/t20-/m0/s1