[4-[[2-methylpropyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[2-methylpropyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isobutyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-methylpropyl-(1-oxo-2-thiophen-2-ylethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl-(2-thiophen-2-ylacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isobutyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ester Formula: C18H23NO4S2 MolecularWeight: 381.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CC2=CC=CS2

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CC2=CC=CS2

InChI

InChI=1S/C18H23NO4S2/c1-14(2)12-19(18(20)11-17-5-4-10-24-17)13-15-6-8-16(9-7-15)23-25(3,21)22/h4-10,14H,11-13H2,1-3H3