[4-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C18H22FNO6S2 MolecularWeight: 431.498783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FNO6S2/c1-3-27(21,22)26-17-8-4-15(5-9-17)14-20(12-13-25-2)28(23,24)18-10-6-16(19)7-11-18/h4-11H,3,12-14H2,1-2H3