[2-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate

Systemtic Name: [2-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Openeye Name: [2-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[cyclopropyl-(3-methyl-1-oxobutyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[cyclopropyl(isovaleryl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)CC(C)C)OS(=O)(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)CC(C)C)OS(=O)(=O)C

InChI

InChI=1S/C20H32N2O4S/c1-6-21(7-2)18-9-8-16(19(13-18)26-27(5,24)25)14-22(17-10-11-17)20(23)12-15(3)4/h8-9,13,15,17H,6-7,10-12,14H2,1-5H3