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

Systemtic Name: [3-[[(3-bromophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(3-bromobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(3-bromophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-bromobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(3-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(=CC=C2)Br

Isomeric SMILES

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

InChI

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