[4-[[[(E)-3-phenylprop-2-enoyl]-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(E)-3-phenylprop-2-enoyl]-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(E)-1-oxo-3-phenylprop-2-enyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isopropyl-[(E)-3-phenylacryloyl]amino]methyl]phenyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c1-16(2)21(20(22)14-11-17-7-5-4-6-8-17)15-18-9-12-19(13-10-18)25-26(3,23)24/h4-14,16H,15H2,1-3H3/b14-11+