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

Systemtic Name: [4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopropyl-[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isopropyl-[(E)-3-(4-nitrophenyl)acryloyl]amino]methyl]phenyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H22N2O6S/c1-15(2)21(14-17-6-11-19(12-7-17)28-29(3,26)27)20(23)13-8-16-4-9-18(10-5-16)22(24)25/h4-13,15H,14H2,1-3H3/b13-8+