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

Systemtic Name: [4-chloranyl-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C16H25ClN2O4S MolecularWeight: 376.8987

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)CC)CC(C)C

Isomeric SMILES

CCNC(=O)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)CC)CC(C)C

InChI

InChI=1S/C16H25ClN2O4S/c1-5-18-16(20)19(10-12(3)4)11-13-9-14(17)7-8-15(13)23-24(21,22)6-2/h7-9,12H,5-6,10-11H2,1-4H3,(H,18,20)