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

Systemtic Name: [3-[[(3-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(3-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(3-cyanoanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(3-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H23N3O5S/c1-3-29(25,26)28-19-9-5-7-17(13-19)15-23(10-11-27-2)20(24)22-18-8-4-6-16(12-18)14-21/h4-9,12-13H,3,10-11,15H2,1-2H3,(H,22,24)