1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]-methyl-piperonyl-ammonium Formula: C21H26N3O5S+ MolecularWeight: 432.51324

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O5S/c1-23(13-16-7-8-19-20(11-16)29-15-28-19)14-21(25)22-17-5-4-6-18(12-17)30(26,27)24-9-2-3-10-24/h4-8,11-12H,2-3,9-10,13-15H2,1H3,(H,22,25)/p+1