[3-[[(3,4-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(3,4-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(3,4-dichlorophenyl)carbamoyl-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(3,4-dichloroanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3,4-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(3,4-dichlorophenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ester Formula: C19H22Cl2N2O4S MolecularWeight: 445.35998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22Cl2N2O4S/c1-13(2)11-23(19(24)22-15-7-8-17(20)18(21)10-15)12-14-5-4-6-16(9-14)27-28(3,25)26/h4-10,13H,11-12H2,1-3H3,(H,22,24)