methyl (Z,4S)-2-bromanyl-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enoate

Systemtic Name: methyl (Z,4S)-2-bromanyl-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enoate Openeye Name: methyl (Z,4S)-2-bromo-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enoate CAS Name: (Z,4S)-2-bromo-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-2-pentenoic acid methyl ester IUPAC Name: methyl (Z,4S)-2-bromo-5-phenyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (Z,4S)-2-bromo-4-(mesitylsulfonylamino)-5-phenyl-pent-2-enoic acid methyl ester Formula: C21H24BrNO4S MolecularWeight: 466.38856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO4S/c1-14-10-15(2)20(16(3)11-14)28(25,26)23-18(13-19(22)21(24)27-4)12-17-8-6-5-7-9-17/h5-11,13,18,23H,12H2,1-4H3/b19-13-/t18-/m0/s1