[5-[[(3,4-dichlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(3,4-dichlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(3,4-dichloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C19H22Cl2N2O5S MolecularWeight: 461.35938

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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)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H22Cl2N2O5S/c1-12(2)23(19(24)22-14-6-7-15(20)16(21)10-14)11-13-5-8-17(27-3)18(9-13)28-29(4,25)26/h5-10,12H,11H2,1-4H3,(H,22,24)