[4-[[2-methylpropyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methylpropyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methylpropyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isobutyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C18H23NO4S2 MolecularWeight: 381.50952

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC(C)C)C(=O)C2=CC=CS2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC(C)C)C(=O)C2=CC=CS2

InChI

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