[4-[[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[butylcarbamoyl-[(1R)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2R)-butan-2-yl]-[butylamino(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[butylcarbamoyl-[(1R)-1-methylpropyl]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)C(C)CC

Isomeric SMILES

CCCCNC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)[C@H](C)CC

InChI

InChI=1S/C18H30N2O4S/c1-5-8-13-19-18(21)20(15(4)6-2)14-16-9-11-17(12-10-16)24-25(22,23)7-3/h9-12,15H,5-8,13-14H2,1-4H3,(H,19,21)/t15-/m1/s1