1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-keto-2-(3-mesylanilino)ethyl]-piperonyl-ammonium Formula: C22H27N2O5S+ MolecularWeight: 431.52518

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H26N2O5S/c1-30(26,27)19-8-4-5-17(12-19)23-22(25)14-24(18-6-2-3-7-18)13-16-9-10-20-21(11-16)29-15-28-20/h4-5,8-12,18H,2-3,6-7,13-15H2,1H3,(H,23,25)/p+1