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

Systemtic Name: ethyl-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: ethyl-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-ethyl-(2-thenyl)ammonium Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O3S2/c1-2-21(15-19-9-6-14-27-19)16-20(24)22-10-12-23(13-11-22)28(25,26)17-18-7-4-3-5-8-18/h3-9,14H,2,10-13,15-17H2,1H3/p+1