(phenylmethyl) (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methylamino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methylamino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-valeric acid benzyl ester Formula: C21H26BrNO4S MolecularWeight: 468.40444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)CBr

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)CBr

InChI

InChI=1S/C21H26BrNO4S/c1-16(2)13-20(21(24)27-15-18-7-5-4-6-8-18)23(3)28(25,26)19-11-9-17(14-22)10-12-19/h4-12,16,20H,13-15H2,1-3H3/t20-/m0/s1