[4-[[(3-chloranyl-2,2-dimethyl-propanoyl)-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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