[3-[[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2-bromophenyl)carbamoyl-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2-bromoanilino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2-bromophenyl)carbamoyl-(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H21BrN2O5S MolecularWeight: 493.37084

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C21H21BrN2O5S/c1-2-30(26,27)29-17-8-5-7-16(13-17)14-24(15-18-9-6-12-28-18)21(25)23-20-11-4-3-10-19(20)22/h3-13H,2,14-15H2,1H3,(H,23,25)