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

Systemtic Name: [3-[[[(E)-3-phenylprop-2-enoyl]-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(E)-1-oxo-3-phenylprop-2-enyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl-[(E)-3-phenylacryloyl]amino]methyl]phenyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4S/c1-4-27(24,25)26-20-12-8-11-19(15-20)16-22(17(2)3)21(23)14-13-18-9-6-5-7-10-18/h5-15,17H,4,16H2,1-3H3/b14-13+