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

Systemtic Name: [4-[[[(E)-3-phenylprop-2-enoyl]-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isopropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[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=C(C=C1)CN(C(C)C)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-4-27(24,25)26-20-13-10-19(11-14-20)16-22(17(2)3)21(23)15-12-18-8-6-5-7-9-18/h5-15,17H,4,16H2,1-3H3/b15-12+