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

Systemtic Name: propyl (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate Openeye Name: propyl (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methylamino]-4-methylpentanoic acid propyl ester IUPAC Name: propyl (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methylamino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-valeric acid propyl ester Formula: C17H26BrNO4S MolecularWeight: 420.36164

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC(C)C)N(C)S(=O)(=O)C1=CC=C(C=C1)CBr

Isomeric SMILES

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

InChI

InChI=1S/C17H26BrNO4S/c1-5-10-23-17(20)16(11-13(2)3)19(4)24(21,22)15-8-6-14(12-18)7-9-15/h6-9,13,16H,5,10-12H2,1-4H3/t16-/m0/s1