methyl (Z)-5-[[(2S)-1-bromanylpropan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate

Systemtic Name: methyl (Z)-5-[[(2S)-1-bromanylpropan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate Openeye Name: methyl (Z)-5-[[(1S)-2-bromo-1-methyl-ethyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (Z)-5-[[(2S)-1-bromopropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid methyl ester IUPAC Name: methyl (Z)-5-[[(2S)-1-bromopropan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (Z)-5-[[(1S)-2-bromo-1-methyl-ethyl]-tosyl-amino]pent-2-enoic acid methyl ester Formula: C16H22BrNO4S MolecularWeight: 404.31918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC=CC(=O)OC)C(C)CBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC/C=C\C(=O)OC)[C@@H](C)CBr

InChI

InChI=1S/C16H22BrNO4S/c1-13-7-9-15(10-8-13)23(20,21)18(14(2)12-17)11-5-4-6-16(19)22-3/h4,6-10,14H,5,11-12H2,1-3H3/b6-4-/t14-/m0/s1