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

Systemtic Name: [3-[[(4-bromophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-bromobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-bromophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-bromobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-bromobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C19H22BrNO5S MolecularWeight: 456.35068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO5S/c1-3-27(23,24)26-18-6-4-5-15(13-18)14-21(11-12-25-2)19(22)16-7-9-17(20)10-8-16/h4-10,13H,3,11-12,14H2,1-2H3