methyl (Z)-5-[[(2S)-1-bromanyl-3-phenyl-propan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate

Systemtic Name: methyl (Z)-5-[[(2S)-1-bromanyl-3-phenyl-propan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate Openeye Name: methyl (Z)-5-[[(1S)-1-benzyl-2-bromo-ethyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (Z)-5-[[(2S)-1-bromo-3-phenylpropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid methyl ester IUPAC Name: methyl (Z)-5-[[(2S)-1-bromo-3-phenylpropan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (Z)-5-[[(1S)-1-benzyl-2-bromo-ethyl]-tosyl-amino]pent-2-enoic acid methyl ester Formula: C22H26BrNO4S MolecularWeight: 480.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC=CC(=O)OC)C(CC2=CC=CC=C2)CBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC/C=C\C(=O)OC)[C@@H](CC2=CC=CC=C2)CBr

InChI

InChI=1S/C22H26BrNO4S/c1-18-11-13-21(14-12-18)29(26,27)24(15-7-6-10-22(25)28-2)20(17-23)16-19-8-4-3-5-9-19/h3-6,8-14,20H,7,15-17H2,1-2H3/b10-6-/t20-/m0/s1