[5-[[(4-chloranyl-3-nitro-phenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(4-chloranyl-3-nitro-phenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-chloro-3-nitro-benzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-chloro-3-nitrobenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-chloro-3-nitro-benzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C19H21ClN2O7S MolecularWeight: 456.89724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN2O7S/c1-12(2)21(19(23)14-6-7-15(20)16(10-14)22(24)25)11-13-5-8-17(28-3)18(9-13)29-30(4,26)27/h5-10,12H,11H2,1-4H3