[4-chloranyl-2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-chloranyl-2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[isopropyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[(3-methyl-1-oxobutyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[isopropyl(isovaleryl)amino]methyl]phenyl] ester Formula: C17H26ClNO4S MolecularWeight: 375.91064

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClNO4S/c1-6-24(21,22)23-16-8-7-15(18)10-14(16)11-19(13(4)5)17(20)9-12(2)3/h7-8,10,12-13H,6,9,11H2,1-5H3