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[3-[[(2-methylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

[3-[[(2-methylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name:[3-[[(2-methylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate
Openeye Name:[3-[[isopropyl-(2-methylbenzoyl)amino]methyl]phenyl] ethanesulfonate
CAS Name:ethanesulfonic acid [3-[[[(2-methylphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester
IUPAC Name:[3-[[(2-methylbenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate
Traditional Name:ethanesulfonic acid [3-[[isopropyl(o-toluoyl)amino]methyl]phenyl] ester
Formula: C20H25NO4S
MolecularWeight: 375.4818
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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C2=CC=CC=C2C


Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C2=CC=CC=C2C


InChI

InChI=1S/C20H25NO4S/c1-5-26(23,24)25-18-11-8-10-17(13-18)14-21(15(2)3)20(22)19-12-7-6-9-16(19)4/h6-13,15H,5,14H2,1-4H3


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