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

Systemtic Name: [4-chloranyl-2-[[ethylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[ethylcarbamoyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[ethylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[ethylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[ethylcarbamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C15H23ClN2O4S MolecularWeight: 362.87212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23ClN2O4S/c1-5-17-15(19)18(11(3)4)10-12-9-13(16)7-8-14(12)22-23(20,21)6-2/h7-9,11H,5-6,10H2,1-4H3,(H,17,19)