[2-methoxy-5-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isopropyl-[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isopropyl-[(E)-3-(4-nitrophenyl)acryloyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O7S/c1-15(2)22(21(24)12-8-16-5-9-18(10-6-16)23(25)26)14-17-7-11-19(29-3)20(13-17)30-31(4,27)28/h5-13,15H,14H2,1-4H3/b12-8+