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

Systemtic Name: [4-chloranyl-2-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[isobutyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[(3-methyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[isobutyl(isovaleryl)amino]methyl]phenyl] ester Formula: C18H28ClNO4S MolecularWeight: 389.93722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClNO4S/c1-6-25(22,23)24-17-8-7-16(19)10-15(17)12-20(11-14(4)5)18(21)9-13(2)3/h7-8,10,13-14H,6,9,11-12H2,1-5H3