[4-chloranyl-2-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-chloranyl-2-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[isopropyl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[[oxo(thiophen-2-yl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[propan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[isopropyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C17H20ClNO4S2 MolecularWeight: 401.928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO4S2/c1-4-25(21,22)23-15-8-7-14(18)10-13(15)11-19(12(2)3)17(20)16-6-5-9-24-16/h5-10,12H,4,11H2,1-3H3