[3-[[(4-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(4-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-bromophenyl)carbamoyl-(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(4-bromoanilino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-bromophenyl)carbamoyl-(2-furfuryl)amino]methyl]phenyl] ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O5S/c1-29(25,26)28-18-5-2-4-15(12-18)13-23(14-19-6-3-11-27-19)20(24)22-17-9-7-16(21)8-10-17/h2-12H,13-14H2,1H3,(H,22,24)