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

Systemtic Name: [2-[[butan-2-yl-(2-fluorophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[(2-fluorobenzoyl)-sec-butyl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[butan-2-yl-[(2-fluorophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[butan-2-yl-(2-fluorobenzoyl)amino]methyl]-4-chlorophenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[(2-fluorobenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C26H26ClFN2O5S MolecularWeight: 533.011443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CCC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C26H26ClFN2O5S/c1-4-17(2)30(26(32)23-7-5-6-8-24(23)28)16-19-15-20(27)9-14-25(19)35-36(33,34)22-12-10-21(11-13-22)29-18(3)31/h5-15,17H,4,16H2,1-3H3,(H,29,31)