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[5-[[butan-2-yl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate

[5-[[butan-2-yl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name:[5-[[butan-2-yl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate
Openeye Name:[5-[[(2-ethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate
CAS Name:methanesulfonic acid [5-[[butan-2-yl-[(2-ethoxyanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester
IUPAC Name:[5-[[butan-2-yl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] methanesulfonate
Traditional Name:methanesulfonic acid [2-methoxy-5-[[o-phenetylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester
Formula: C22H30N2O6S
MolecularWeight: 450.5484
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)NC2=CC=CC=C2OCC


Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)NC2=CC=CC=C2OCC


InChI

InChI=1S/C22H30N2O6S/c1-6-16(3)24(22(25)23-18-10-8-9-11-19(18)29-7-2)15-17-12-13-20(28-4)21(14-17)30-31(5,26)27/h8-14,16H,6-7,15H2,1-5H3,(H,23,25)


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