(4-propan-2-ylphenyl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (4-propan-2-ylphenyl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (4-isopropylphenyl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (4-isopropylbenzyl) ester Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO4S/c1-14(2)17-10-8-16(9-11-17)13-27-21(24)20(15(3)4)23-28(25,26)19-7-5-6-18(22)12-19/h5-12,14-15,20,23H,13H2,1-4H3/t20-/m0/s1