[3-[[(3-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(3-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(3-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(3-cyanoanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(3-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C19H21N3O5S/c1-26-10-9-22(19(23)21-17-7-3-5-15(11-17)13-20)14-16-6-4-8-18(12-16)27-28(2,24)25/h3-8,11-12H,9-10,14H2,1-2H3,(H,21,23)