[3-[[(4-fluorophenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-fluorophenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-fluorophenyl)sulfonyl-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(4-fluorophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-fluorophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-fluorophenyl)sulfonyl-isopropyl-amino]methyl]phenyl] ester Formula: C18H22FNO5S2 MolecularWeight: 415.499383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FNO5S2/c1-4-26(21,22)25-17-7-5-6-15(12-17)13-20(14(2)3)27(23,24)18-10-8-16(19)9-11-18/h5-12,14H,4,13H2,1-3H3