[4-[[butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butylcarbamoyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[butylamino(oxo)methyl]-[[(2R)-2-oxolanyl]methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butylcarbamoyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl] ester Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC1CCCO1)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)N(C[C@H]1CCCO1)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C18H28N2O5S/c1-3-4-11-19-18(21)20(14-17-6-5-12-24-17)13-15-7-9-16(10-8-15)25-26(2,22)23/h7-10,17H,3-6,11-14H2,1-2H3,(H,19,21)/t17-/m1/s1