[4-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-chloro-4-nitro-benzoyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2-chloro-4-nitrophenyl)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-chloro-4-nitrobenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2-chloro-4-nitro-benzoyl)-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O7S/c1-31(27,28)30-16-7-4-14(5-8-16)12-22(13-17-3-2-10-29-17)20(24)18-9-6-15(23(25)26)11-19(18)21/h4-9,11,17H,2-3,10,12-13H2,1H3