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

Systemtic Name: [4-chloranyl-2-[[ethanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [2-[[acetyl(isopropyl)amino]methyl]-4-chloro-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[acetyl(propan-2-yl)amino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[acetyl(propan-2-yl)amino]methyl]-4-chlorophenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[acetyl(isopropyl)amino]methyl]-4-chloro-phenyl] ester Formula: C14H20ClNO4S MolecularWeight: 333.8309

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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)C

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(C(C)C)C(=O)C

InChI

InChI=1S/C14H20ClNO4S/c1-5-21(18,19)20-14-7-6-13(15)8-12(14)9-16(10(2)3)11(4)17/h6-8,10H,5,9H2,1-4H3