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

Systemtic Name: [2-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Openeye Name: [2-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[cyclopropyl-(3-methyl-1-oxobutyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[cyclopropyl(isovaleryl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C21H34N2O4S MolecularWeight: 410.57066

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4S/c1-6-22(7-2)19-10-9-17(20(14-19)27-28(25,26)8-3)15-23(18-11-12-18)21(24)13-16(4)5/h9-10,14,16,18H,6-8,11-13,15H2,1-5H3