(3,4-dichlorophenyl)methyl-methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: (3,4-dichlorophenyl)methyl-methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: (3,4-dichlorophenyl)methyl-methyl-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: (3,4-dichlorophenyl)methyl-methyl-[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: (3,4-dichlorophenyl)methyl-methyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: (3,4-dichlorobenzyl)-[2-keto-2-(3-piperidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C21H26Cl2N3O3S+ MolecularWeight: 471.42044

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)Cl)Cl)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)Cl)Cl)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25Cl2N3O3S/c1-25(14-16-8-9-19(22)20(23)12-16)15-21(27)24-17-6-5-7-18(13-17)30(28,29)26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,24,27)/p+1