[2-[[2-dimethylaminoethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-[[2-dimethylaminoethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[2-dimethylaminoethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[2-dimethylaminoethyl-[(2-methoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [2-[[2-dimethylaminoethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[2-dimethylaminoethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C25H28FN3O5S MolecularWeight: 501.570323

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C25H28FN3O5S/c1-28(2)16-17-29(25(30)27-22-9-5-7-11-24(22)33-3)18-19-8-4-6-10-23(19)34-35(31,32)21-14-12-20(26)13-15-21/h4-15H,16-18H2,1-3H3,(H,27,30)