[4-[[(2-chloranyl-2-phenyl-ethanoyl)-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[(2-chloranyl-2-phenyl-ethanoyl)-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2-chloro-2-phenyl-acetyl)-isobutyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(2-chloro-1-oxo-2-phenylethyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-chloro-2-phenylacetyl)-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(2-chloro-2-phenyl-acetyl)-isobutyl-amino]methyl]phenyl] ester Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC(C)C)C(=O)C(C2=CC=CC=C2)Cl

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC(C)C)C(=O)C(C2=CC=CC=C2)Cl

InChI

InChI=1S/C21H26ClNO4S/c1-4-28(25,26)27-19-12-10-17(11-13-19)15-23(14-16(2)3)21(24)20(22)18-8-6-5-7-9-18/h5-13,16,20H,4,14-15H2,1-3H3