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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-cyclopentylazanium Traditional Name: [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl]-cyclopentyl-piperonyl-ammonium Formula: C22H26ClN2O5S+ MolecularWeight: 465.97024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S/c1-31(27,28)17-7-8-18(23)19(11-17)24-22(26)13-25(16-4-2-3-5-16)12-15-6-9-20-21(10-15)30-14-29-20/h6-11,16H,2-5,12-14H2,1H3,(H,24,26)/p+1