[4-[[butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[butylcarbamoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[butylamino(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[butylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C18H30N2O4S MolecularWeight: 370.5068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)CC(C)C

Isomeric SMILES

CCCCNC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)CC(C)C

InChI

InChI=1S/C18H30N2O4S/c1-5-7-12-19-18(21)20(13-15(3)4)14-16-8-10-17(11-9-16)24-25(22,23)6-2/h8-11,15H,5-7,12-14H2,1-4H3,(H,19,21)