[4-[[naphthalen-1-ylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[naphthalen-1-ylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isopropyl(1-naphthylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(1-naphthalenylamino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[naphthalen-1-ylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isopropyl(1-naphthylcarbamoyl)amino]methyl]phenyl] ester Formula: C27H25FN2O4S MolecularWeight: 492.561803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H25FN2O4S/c1-19(2)30(27(31)29-26-9-5-7-21-6-3-4-8-25(21)26)18-20-10-14-23(15-11-20)34-35(32,33)24-16-12-22(28)13-17-24/h3-17,19H,18H2,1-2H3,(H,29,31)