ethyl-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-ethyl-ammonium CAS Name: ethyl-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-ethylazanium Traditional Name: benzyl-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-ethyl-ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-2-23(17-20-9-5-3-6-10-20)18-22(26)24-13-15-25(16-14-24)29(27,28)19-21-11-7-4-8-12-21/h3-12H,2,13-19H2,1H3/p+1