[3-[[butan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[butan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[sec-butyl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[sec-butyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C18H23NO4S2 MolecularWeight: 381.50952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C2=CC=CS2

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C2=CC=CS2

InChI

InChI=1S/C18H23NO4S2/c1-4-14(3)19(18(20)17-10-7-11-24-17)13-15-8-6-9-16(12-15)23-25(21,22)5-2/h6-12,14H,4-5,13H2,1-3H3