methyl (Z,4S)-2-bromanyl-4-[3-phenylprop-2-ynyl-(2,4,6-trimethylphenyl)sulfonyl-amino]pent-2-enoate

Systemtic Name: methyl (Z,4S)-2-bromanyl-4-[3-phenylprop-2-ynyl-(2,4,6-trimethylphenyl)sulfonyl-amino]pent-2-enoate Openeye Name: methyl (Z,4S)-2-bromo-4-[3-phenylprop-2-ynyl-(2,4,6-trimethylphenyl)sulfonyl-amino]pent-2-enoate CAS Name: (Z,4S)-2-bromo-4-[3-phenylprop-2-ynyl-(2,4,6-trimethylphenyl)sulfonylamino]-2-pentenoic acid methyl ester IUPAC Name: methyl (Z,4S)-2-bromo-4-[3-phenylprop-2-ynyl-(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (Z,4S)-2-bromo-4-[mesitylsulfonyl(3-phenylprop-2-ynyl)amino]pent-2-enoic acid methyl ester Formula: C24H26BrNO4S MolecularWeight: 504.43654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC#CC2=CC=CC=C2)C(C)C=C(C(=O)OC)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrNO4S/c1-17-14-18(2)23(19(3)15-17)31(28,29)26(20(4)16-22(25)24(27)30-5)13-9-12-21-10-7-6-8-11-21/h6-8,10-11,14-16,20H,13H2,1-5H3/b22-16-/t20-/m0/s1