[4-chloranyl-2-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-chloranyl-2-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl(isobutyryl)amino]methyl]phenyl] ester Formula: C17H27ClN2O4S MolecularWeight: 390.92528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN2O4S/c1-6-25(22,23)24-16-8-7-15(18)11-14(16)12-20(10-9-19(4)5)17(21)13(2)3/h7-8,11,13H,6,9-10,12H2,1-5H3