[4-[[butyl-(3-chloranyl-2,2-dimethyl-propanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl-(3-chloranyl-2,2-dimethyl-propanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-(3-chloro-2,2-dimethyl-propanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-(3-chloro-2,2-dimethyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-(3-chloro-2,2-dimethylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl-(3-chloro-2,2-dimethyl-propanoyl)amino]methyl]phenyl] ester Formula: C17H26ClNO4S MolecularWeight: 375.91064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C(C)(C)CCl

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C(C)(C)CCl

InChI

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