[4-[[furan-2-ylmethyl-(3-nitrophenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[furan-2-ylmethyl-(3-nitrophenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-furylmethyl-(3-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-furanylmethyl-[(3-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-(3-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-furfuryl-(3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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