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

Systemtic Name: [4-chloranyl-2-[[2-methylpropyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-chloro-2-[[isobutyl(thiophene-2-carbonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-chloro-2-[[2-methylpropyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-chloro-2-[[isobutyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C17H20ClNO4S2 MolecularWeight: 401.928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C)C(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CN(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C)C(=O)C2=CC=CS2

InChI

InChI=1S/C17H20ClNO4S2/c1-12(2)10-19(17(20)16-5-4-8-24-16)11-13-9-14(18)6-7-15(13)23-25(3,21)22/h4-9,12H,10-11H2,1-3H3