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

Systemtic Name: [4-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl-(2-chloro-4-nitro-benzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2-chloro-4-nitrophenyl)-oxomethyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl-(2-chloro-4-nitrobenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl-(2-chloro-4-nitro-benzoyl)amino]methyl]phenyl] ester Formula: C22H19ClN2O6S MolecularWeight: 474.91406

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H19ClN2O6S/c1-32(29,30)31-19-10-7-17(8-11-19)15-24(14-16-5-3-2-4-6-16)22(26)20-12-9-18(25(27)28)13-21(20)23/h2-13H,14-15H2,1H3