[4-chloranyl-2-[[2-dimethylaminoethyl-(2-fluorophenyl)carbonyl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[2-dimethylaminoethyl-(2-fluorophenyl)carbonyl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl-[(2-fluorophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]phenyl] ester Formula: C26H27ClFN3O5S MolecularWeight: 548.026083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(CCN(C)C)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(CCN(C)C)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C26H27ClFN3O5S/c1-18(32)29-21-9-11-22(12-10-21)37(34,35)36-25-13-8-20(27)16-19(25)17-31(15-14-30(2)3)26(33)23-6-4-5-7-24(23)28/h4-13,16H,14-15,17H2,1-3H3,(H,29,32)