[4-[[(4-chloranyl-3-nitro-phenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-chloranyl-3-nitro-phenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-chloro-3-nitro-benzoyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-chloro-3-nitrobenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

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)15-6-9-18(21)19(11-15)23(25)26/h4-9,11,17H,2-3,10,12-13H2,1H3