[4-[[furan-2-ylmethyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[furan-2-ylmethyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-furylmethyl-(4-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-furanylmethyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-(4-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-furfuryl-(4-nitrobenzoyl)amino]methyl]phenyl] ester Formula: C20H18N2O7S MolecularWeight: 430.43112

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7S/c1-30(26,27)29-18-10-4-15(5-11-18)13-21(14-19-3-2-12-28-19)20(23)16-6-8-17(9-7-16)22(24)25/h2-12H,13-14H2,1H3