[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]-[(4-sulfamoylphenyl)methyl]ammonium CAS Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl]-(4-sulfamoylbenzyl)ammonium Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[NH2+]CC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[NH2+]CC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H21N3O5S/c1-12(20-9-13-2-5-15(6-3-13)27(19,23)24)18(22)21-10-14-4-7-16-17(8-14)26-11-25-16/h2-8,12,20H,9-11H2,1H3,(H,21,22)(H2,19,23,24)/p+1/t12-/m1/s1