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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4S2/c1-3-4-11-19(18(20)13-17-6-5-12-24-17)14-15-7-9-16(10-8-15)23-25(2,21)22/h5-10,12H,3-4,11,13-14H2,1-2H3