(3-methoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]azanium

Systemtic Name: (3-methoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]azanium Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(4-besylpiperazino)-2-keto-ethyl]-m-anisyl-methyl-ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-22(16-18-7-6-8-19(15-18)28-2)17-21(25)23-11-13-24(14-12-23)29(26,27)20-9-4-3-5-10-20/h3-10,15H,11-14,16-17H2,1-2H3/p+1