[4-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3-cyanoanilino)-oxomethyl]-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3-cyanophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-27-12-4-11-23(20(24)22-18-6-3-5-17(13-18)14-21)15-16-7-9-19(10-8-16)28-29(2,25)26/h3,5-10,13H,4,11-12,15H2,1-2H3,(H,22,24)