[3-[[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-bromoanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C19H23BrN2O5S MolecularWeight: 471.36532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O5S/c1-3-28(24,25)27-18-6-4-5-15(13-18)14-22(11-12-26-2)19(23)21-17-9-7-16(20)8-10-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23)