[3-[[butan-2-yl-(2-chloranyl-4-nitro-phenyl)carbonyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[butan-2-yl-(2-chloranyl-4-nitro-phenyl)carbonyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(2-chloro-4-nitro-benzoyl)-sec-butyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[butan-2-yl-[(2-chloro-4-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(2-chloro-4-nitrobenzoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(2-chloro-4-nitro-benzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C25H22ClF3N2O6S MolecularWeight: 570.96519

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H22ClF3N2O6S/c1-3-16(2)30(24(32)22-11-10-19(31(33)34)14-23(22)26)15-17-6-4-8-20(12-17)37-38(35,36)21-9-5-7-18(13-21)25(27,28)29/h4-14,16H,3,15H2,1-2H3