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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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