[5-[[butan-2-yl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[butan-2-yl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[[(E)-3-phenylprop-2-enoyl]-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-methoxy-5-[[[(E)-3-phenylacryloyl]-sec-butyl-amino]methyl]phenyl] ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C23H29NO5S/c1-5-18(3)24(23(25)15-13-19-10-8-7-9-11-19)17-20-12-14-21(28-4)22(16-20)29-30(26,27)6-2/h7-16,18H,5-6,17H2,1-4H3/b15-13+