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

Systemtic Name: ethyl (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-(2-methylpropoxycarbonyl)amino]-4-methyl-pentanoate Openeye Name: ethyl (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-isobutoxycarbonyl-amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-[2-methylpropoxy(oxo)methyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-(2-methylpropoxycarbonyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-isobutoxycarbonyl-amino]-4-methyl-valeric acid ethyl ester Formula: C20H30BrNO6S MolecularWeight: 492.4243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)N(C(=O)OCC(C)C)S(=O)(=O)C1=CC=C(C=C1)CBr

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)N(C(=O)OCC(C)C)S(=O)(=O)C1=CC=C(C=C1)CBr

InChI

InChI=1S/C20H30BrNO6S/c1-6-27-19(23)18(11-14(2)3)22(20(24)28-13-15(4)5)29(25,26)17-9-7-16(12-21)8-10-17/h7-10,14-15,18H,6,11-13H2,1-5H3/t18-/m0/s1