prop-2-enyl (2S,3S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methyl-amino]-3-methyl-pentanoate

Systemtic Name: prop-2-enyl (2S,3S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methyl-amino]-3-methyl-pentanoate Openeye Name: allyl (2S,3S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methyl-amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methylamino]-3-methylpentanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,3S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[4-(bromomethyl)phenyl]sulfonyl-methyl-amino]-3-methyl-valeric acid allyl ester Formula: C17H24BrNO4S MolecularWeight: 418.34576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrNO4S/c1-5-11-23-17(20)16(13(3)6-2)19(4)24(21,22)15-9-7-14(12-18)8-10-15/h5,7-10,13,16H,1,6,11-12H2,2-4H3/t13-,16-/m0/s1