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

Systemtic Name: [3-[[naphthalen-1-ylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl(1-naphthylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(1-naphthalenylamino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[naphthalen-1-ylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[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(=CC=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(=CC=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)29-26-12-6-9-21-8-3-4-11-25(21)26)18-20-7-5-10-23(17-20)34-35(32,33)24-15-13-22(28)14-16-24/h3-17,19H,18H2,1-2H3,(H,29,31)