[3-[[butan-2-yl-(2-chloranyl-2-phenyl-ethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[butan-2-yl-(2-chloranyl-2-phenyl-ethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(2-chloro-2-phenyl-acetyl)-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-(2-chloro-1-oxo-2-phenylethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(2-chloro-2-phenylacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(2-chloro-2-phenyl-acetyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C20H24ClNO4S MolecularWeight: 409.92686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO4S/c1-4-15(2)22(20(23)19(21)17-10-6-5-7-11-17)14-16-9-8-12-18(13-16)26-27(3,24)25/h5-13,15,19H,4,14H2,1-3H3