3-methylbutyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-2-phenyl-ethanoate

Systemtic Name: 3-methylbutyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-2-phenyl-ethanoate Openeye Name: isopentyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-2-phenyl-acetate CAS Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate Traditional Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-2-phenyl-acetic acid isoamyl ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)CCOC(=O)[C@H](C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H31NO4S/c1-17(2)15-16-28-22(25)21(18-9-7-6-8-10-18)24-29(26,27)20-13-11-19(12-14-20)23(3,4)5/h6-14,17,21,24H,15-16H2,1-5H3/t21-/m0/s1